1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1aα,7α,7aβ,7bα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: WGTRJVCFDUCKCM-ZZVYKPCYSA-N
- CAS Registry Number: 21747-46-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: (+)-Ledene; 1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene-, [1aR-(1aα,7α,7aβ,7bα)]-; Viridiflorene; Leden; Ledene; (1aR,7R,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene; Virdiflorene; Viridflorene; Viridiflorene (ledene); [1aR-(1aα,7α,7aβ,7bα)]-1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
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- Other data available:
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Normal alkane RI, polar column, custom temperature program
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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | HP Innowax | HP Innowax | HP Innowax FSP | DB-Wax |
Column length (m) | 60. | 60. | 50. | 60. | |
Carrier gas | Helium | Helium | Helium | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | |
Program | not specified | not specified | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) | not specified |
I | 1679. | 1709. | 1695. | 1708. | 1695. |
Reference | Feng, Zhuang, et al., 2011 | Noorizadeh and Farmany, 2010 | Mancini, Arnold, et al., 2009 | Wedge, Klun, et al., 2009 | Pala-Paul, Perez-Alonso, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | HP-Innowax FSC | HP-Innowax | HP-Innowax FSC |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1719. | 1697. | 1708. | 1707. | 1708. |
Reference | Vinogradov, 2004 | Vinogradov, 2004 | Demirci, Demirci, et al., 2003 | Baser, Demirci, et al., 2002 | Kirimer N., Tabanea N., et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | HP-Innowax FSC | Innowax FSC | Innowax FSC | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | Helium | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | not specified |
I | 1708. | 1707. | 1707. | 1707. | 1705. |
Reference | Tabanca N., Demirci F., et al., 2001 | Tabanca, Kirimer, et al., 2001 | Kirimer, Tabanca, et al., 2000 | Kirimer, Tabanca, et al., 1999 | Weyerstahl, Marschall, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-Wax |
Column length (m) | 60. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Program | not specified |
I | 1695. |
Reference | Binder and Flath, 1989 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [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]
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J.,
Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity,
J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d
. [all data]
Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain,
J. Chromatogr. A, 2005, 1074, 1-2, 235-239, https://doi.org/10.1016/j.chroma.2005.03.036
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demirci, Demirci, et al., 2003
Demirci, B.; Demirci, F.; Baser, K.H.C.,
Composition of the essential oil of Cotinus coggygria Scop. from Turkey,
Flavour Fragr. J., 2003, 18, 1, 43-44, https://doi.org/10.1002/ffj.1149
. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Kirimer N., Tabanea N., et al., 2001
Kirimer N.; Tabanea N.; Demirci B.; Baser K.H.C.; Duman H.; Aytac Z.,
The essential oil of a new Sideritis species: Sideritis ozturkii Aytac and Aksoy,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 234-237, https://doi.org/10.1023/A:1012561806033
. [all data]
Tabanca N., Demirci F., et al., 2001
Tabanca N.; Demirci F.; Ozek T.; Tumen G.; Baser K.H.C.,
Composition and antimicrobial activity of the essential oil of Origanum x dolichosiphon P. H. Davis,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 238-241, https://doi.org/10.1023/A:1012513922871
. [all data]
Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Can Baser, K.H.,
The composition of essential oils from two varieties of Sideritis erythrantha var. erythrantha and var. cedretorum,
Turk. J. Chem., 2001, 25, 201-208. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Kirimer, Tabanca, et al., 1999
Kirimer, N.; Tabanca, N.; Ozek, T.; Basher, K.H.C.; Tumen, G.,
Composition of essential oils from two endemic Sideritis species of Turkey,
Chem. Natural Comp., 1999, 35, 1, 61-64, https://doi.org/10.1007/BF02238211
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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