(Z)-β-Elemene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15+/m1/s1
- IUPAC Standard InChIKey: OPFTUNCRGUEPRZ-ILXRZTDVSA-N
- 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:
- Elemene
- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1α,2β,4β)-
- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-
- cis-β-Elemene diastereomer
- (E)-β-Elemene
- (-)-(5R,7S,10S)-cis-β-Elemene
- (5S,7S,10R)-cis-β-Elemene, diastereomer
- 1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)cyclohexane
- τ-Elemene
- Other names: (-)-cis-β-Elemene
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1382. | Adio, Paul, et al., 2004 | H2; Column length: 25. m; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1380. | Kollmannsberger, Nitz, et al., 1992 | 30. m/0.25 mm/0.25 μm, Hydrogen, 60. C @ 5. min, 2. K/min, 250. C @ 2. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1377. | Kilic, 2002 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1570. | Kollmannsberger, Nitz, et al., 1992 | 45. m/0.32 mm/1.0 μm, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polyethylene Glycol | 1576. | Vernin, Metzger, et al., 1990 | 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.
Adio, Paul, et al., 2004
Adio, A.M.; Paul, C.; Kloth, P.; König, W.A.,
Sesquiterpenes of the liverwort Scapania undulata,
Phytochemistry, 2004, 65, 2, 199-206, https://doi.org/10.1016/j.phytochem.2003.10.018
. [all data]
Kollmannsberger, Nitz, et al., 1992
Kollmannsberger, H.; Nitz, S.; Drawert, F.,
UBer die Aromastoffzusammensetzung von Hochdruckextrakten. I. Pfeffer (Piper nigrum, Var. muntok),
Z. Lebensm. Unters Forsch., 1992, 194, 6, 545-551, https://doi.org/10.1007/BF01185481
. [all data]
Kilic, 2002
Kilic, A.,
Volatile compounds of buds, flowers and fruits of bay (Laurus nobilis L.) and their odour contribution,
Proc. ICNP-2002 - Trabzon/Turkiye, 2002, 338-341. [all data]
Vernin, Metzger, et al., 1990
Vernin, G.; Metzger, J.; Suon, K.-N.; Fraisse, D.; Ghiglione, C.; Hamoud, A.; Parkanyi, C/,
GC-MS-SPECMA bank analysis of essential oils and aromas. GC-MS (EI-PCI) data bank analysis of sesquiterpenic compounds in Juniper needle oil - application of the mass fragmentometry SIM technique,
Lebensm.-Wiss. u.-Technol., 1990, 23, 25-33. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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