| SpectraBase Spectrum ID |
DcOF014WRmH |
| Name |
((S,1E,5E,9E)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.250401030 u |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1 |
| InChIKey |
VWSPQDDPRITBAM-UYSOGGTPSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800385 |
| Molecular Weight |
272.476 g/mol |
| Optical Rotation |
[a]D20 = +12.0 (c = 0.1, CHCl3) |
| Quality |
414 |
| Reported Formula |
C20H32 |
| SMILES |
C1\C(C)=C\CC\C(=C\C[C@@](C(=C)C)(CC\C(C)=C\C1)[H])C |
| SPLASH |
splash10-0bgl-5930000000-765848b8ff35ea9f7db1 |
| Sample Comments |
(+)-(S)-Cembrene A |
| Source of Spectrum |
ACI-57-SM31-2 (DOI: 10.1002/anie.201800385) |
| Thin-Layer Chromatography |
0.50 (pentane) |
| Wiley ID |
1890614 |
