(3aR,4R,8R,8aS)-3a,4,8a-Trimethyl-7-methylenedecahydro-4,8-methanoazulene-rel-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h12H,1,5-10H2,2-4H3
- IUPAC Standard InChIKey: RTONMYLSQISFQA-UHFFFAOYSA-N
- CAS Registry Number: 72346-55-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 4,8-Methanoazulene, decahydro-3a,4,8a-trimethyl-7-methylene-, (3aR,4R,8R,8aS)-rel-; 4,8-Methanoazulene, decahydro-3a,4,8a-trimethyl-7-methylene-, (3aα,4α,8α,8aα)-(.+/-.)-; (.+/-.)-Gymnomitrene; (.+/-.)-β-Barbatene; 4,8-Methanoazulene, decahydro-3a,4,8a-trimethyl-7-methylene-, (3aα,4α,8α,8aα)-; β-Barbatene
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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 |
|---|---|---|---|---|---|
| Packed | SF-96 | 170. | 1473. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | SF-96 | 170. | 1440.5 | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1693. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1690. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1687. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1687. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1689. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1689. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1693. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1693. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1693. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1693. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 165. | 1718. | Andersen, Bissonette, et al., 1977 | Column length: 7.3 m |
| Packed | Carbowax 20M | 150. | 1690. | Ohta, Andersen, et al., 1977 | Column length: 7.3 m; Column diameter: 3.17 mm |
| Packed | Carbowax 20M | 165. | 1712. | Ohta, Andersen, et al., 1977 | Column length: 7.3 m; Column diameter: 3.17 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1441. | Paolini J., Costa J., et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | CP Sil 5 CB | 1445. | Ziegenbein, Hanssen, et al., 2006 | H2, 10. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 270. C |
| Capillary | CP Sil 5 CB | 1445. | Ziegenbein, Hanssen, et al., 2006, 2 | 25. m/0.25 mm/0.4 μm, He, 10. K/min; Tstart: 80. C; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1451.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 1463. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | CP-Sil 5 CB | 1465. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | BPX-5 | 1440. | Fons, Rapior, et al., 2006 | 25. m/0.20 mm/0.13 μm, Helium, 50. C @ 2. min, 3. K/min; Tend: 230. C |
| Capillary | DB-1 | 1444. | Cégiéla-Carlioz, Bessière, et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1458. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | SE-30 | 1440. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1440. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax FSP | 1667. | Wedge, Klun, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) |
| Capillary | Innowax | 1667. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
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.
Andersen, Bissonette, et al., 1977
Andersen, N.H.; Bissonette, P.; Liu, C.-B.; Shunk, B.; Ohta, Y.; Tseng, C.-L.W.; Moore, A.; Huneck, S.,
Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania,
Phytochemistry, 1977, 16, 11, 1731-1751, https://doi.org/10.1016/0031-9422(71)85081-1
. [all data]
Ohta, Andersen, et al., 1977
Ohta, Y.; Andersen, N.H.; Liu, C.-B.,
Sesquiterpene constituents of two liverworts of genus diplophyllum. Novel eudesmanolides and cytotoxicity studies for enantiomeric methylene lactones,
Tetrahedron, 1977, 33, 6, 617-628, https://doi.org/10.1016/0040-4020(77)80301-3
. [all data]
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus,
Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025
. [all data]
Ziegenbein, Hanssen, et al., 2006, 2
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A.,
Chemical constituents of the essential oils of three wood-rotting fungi,
Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Hnawia, Menut, et al., 2009
Hnawia, E.; Menut, C.; Agrebi, A.; Cabalion, P.,
Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer,
Biochem. Systematics Ecol., 2009, 36, 11, 859-866, https://doi.org/10.1016/j.bse.2008.08.007
. [all data]
Fons, Rapior, et al., 2006
Fons, F.; Rapior, S.; Fruchier, A.,
Volatile composition of Clitocybe amoenolens, Tricholoma caligatum and Hebeloma radicosum,
Cryptogamie, Mycologie, 2006, 27, 1, 45-55. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [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]
Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
Holzforschung, 2003, 57, 140-144. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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