Kaurene
- Formula: C20H32
- Molecular weight: 272.4681
- IUPAC Standard InChI: InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15?,16?,17?,19-,20-/m0/s1
- IUPAC Standard InChIKey: ONVABDHFQKWOSV-GTSVPISWSA-N
- CAS Registry Number: 34424-57-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
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Gas Chromatography
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 170. | 2019. | Clarke, Perry, et al., 1994 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 170. | 2350. | Perry and Weavers, 1984 | |
| Capillary | Carbowax 20M | 190. | 2393. | Perry and Weavers, 1984 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 2043. | Quijano, Salamanca, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 2034. | Block, Flamini, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 2041. | Dob, Dahmane, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 5. min |
| Capillary | DB-5 | 2043. | Su, Ho, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C |
| Capillary | HP-5MS | 2043. | Grujic-Jovanovic, Skaltsa, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 2036. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 2034. | Demetzos, Angelopoulou, et al., 2002 | 30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | DB-5 | 2034. | Javidnia, Miri, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 260. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 2045. | Cui, Yang, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 | 2043. | Ho, Wang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 2034. | Magalhaes, Lima, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | ZB-5 | 2008. | Gardini, Beletti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 240. C @ 1. min; Tstart: 50. C |
| Capillary | HP-5 | 2038. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | DB-5 | 2071. | Smelcerovic, Spiteller, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C |
| Capillary | AT-5 | 2036. | Borges, Rojas, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 4. K/min, 200. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5MS | 2012. | Maronigiu, Piras, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | HP-5MS | 2048. | Petrovic, Ristic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | DB-5 | 2027. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | DB-5 | 2034. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min |
| Capillary | DB-5 | 2025. | Priestap, van Baren, et al., 2003 | 30. m/0.2 mm/0.25 μm, He, 75. C @ 4. min, 3. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TR-5 MS | 2014. | Kurashov, Mitrukova, et al., 2014 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) |
| Capillary | TR-5 MS | 2023. | Kurashov, Krylova, et al., 2013 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) |
| Capillary | HP-5MS | 2025. | Cole, Haber, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
| Capillary | HP-5 MS | 2025. | Moriarity, Bansal, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | DB-5 | 2043. | Nivinsliene, Butkiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
| Capillary | HP-5MS | 2034. | Takaku, Haber, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2425. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | Supelcowax-10 | 2351. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax | 2399. | Noorizadeh and Farmany, 2010 | 60. m/0.25 mm/0.33 μm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Clarke, Perry, et al., 1994
Clarke, D.B.; Perry, N.B.; Weavers, R.T.,
Foliage Oil Terpenes of Prumnopitys ferruginea (D. Don) Laubenf. Variation in Acorenone Levels,
J. Essnt. Oil Res., 1994, 6, 6, 549-554, https://doi.org/10.1080/10412905.1994.9699344
. [all data]
Perry and Weavers, 1984
Perry, N.B.; Weavers, R.T.,
Kovats indices of diterpene hydrocarbons on fused-silica capillary columns,
J. Chromatogr., 1984, 284, 478-481, https://doi.org/10.1016/S0021-9673(01)87850-X
. [all data]
Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A.,
Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.),
Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812
. [all data]
Block, Flamini, et al., 2006
Block, S.; Flamini, G.; Brkic, D.; Morelli, I.; Quetin-Leclercq, J.,
Analysis of the essential oil from leaves of Croton zambesicus Muell. Arg. growing in Benin,
Flavour Fragr. J., 2006, 21, 2, 222-224, https://doi.org/10.1002/ffj.1558
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C.,
Essential oil composition of Juniperus oxycedrus growing in Algeria,
Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922
. [all data]
Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C.,
Analysis of leaf essential oils from the indigenous five conifers of Taiwan,
Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685
. [all data]
Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M.,
Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [all data]
Cui, Yang, et al., 2011
Cui, J.; Yang, X.; Dong, A.-J.; Cheng, D.-Y.; Wang, J.; Zhao, H.-T.; Xu, R.-B.; Wang, P.; Li, W.-J.,
Chemical composition and antioxidant activity of Wuphorbia fischeriana essential oil from China,
J. Med. Plants Res., 2011, 5, 19, 4894-4798. [all data]
Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C.,
Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]
Magalhaes, Lima, et al., 2010
Magalhaes, L.A.M.; Lima, M. daP.; Marques, M.O.M.; Facanali, R.; Pinto, A.C. daS.; Tadei, W.P.,
Chemical composition and larvicidal activity against Aedes aegypti Larvae of essential oils from four Guarea species,
Molecules, 2010, 15, 8, 5734-5741, https://doi.org/10.3390/molecules15085734
. [all data]
Gardini, Beletti, et al., 2009
Gardini, F.; Beletti, N.; Ndagikimana, M.; Guerzoni, M.E.; Tchoumbougnang, F.; Zollo, P.H.A.; Micci, C.; Lanciotti, R.; Kamdem, S.L.S.,
Composition of four essential oils obtained from plants from Cameroon, and their bactericidal and bacteriostatic activity against Listeria Monocytogenes, Salmonella enteritidis and Staphyllococcus aureus,
African J. Microbiol. Res., 2009, 3, 5, 264-271. [all data]
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
Biochem. Syst. Ecol., 2007, 35, 2, 99-113, https://doi.org/10.1016/j.bse.2006.09.012
. [all data]
Borges, Rojas, et al., 2006
Borges, R.; Rojas, L.B.; Cegarra, J.A.; Usubillaga, A.,
Study of the essential oils from the leaves and flowers of Lepechinia conferta (Benth) Epl.,
Flavour Fragr. J., 2006, 21, 1, 155-157, https://doi.org/10.1002/ffj.1550
. [all data]
Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
. [all data]
Petrovic, Ristic, et al., 2006
Petrovic, S.; Ristic, M.; Milenkovic, M.; Kukic, J.; Antic-Stankovic, J.; Niketic, M.,
Composition and antimicrobial activity of essential oil of Stachys plumosa Griseb.,
Flavour Fragr. J., 2006, 21, 2, 250-252, https://doi.org/10.1002/ffj.1570
. [all data]
Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747
. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
Priestap, van Baren, et al., 2003
Priestap, H.A.; van Baren, C.M.; Lira, P.D.L.; Coussio, J.D.; Bandoni, A.L.,
Volatile constituents of Aristolochia argentina,
Phytochemistry, 2003, 63, 2, 221-225, https://doi.org/10.1016/S0031-9422(02)00751-3
. [all data]
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G.,
Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation,
Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Moriarity, Bansal, et al., 2007
Moriarity, D.M.; Bansal, A.; Cole, R.A.; Takaku, S.; Haber, W.A.; Setzer, W.N.,
Selective cytotoxic activities of leaf essential oils from Monteverde Costa Rica,
Natural Product Communications, 2007, 2, 12, 1263-1268. [all data]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003
. [all data]
Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A.,
Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils,
J. Chin. Chem. Soc., 2010, 1268-1277. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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