| SpectraBase Spectrum ID |
3eMCT7jiC0 |
| Name |
(3S,3aR,6E,10S,11E,12aS)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,9,10,12a-decahydrocyclopenta[11]annulene |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,13,17-19H,1,6,8-10,12,14H2,2-5H3/b13-11+,16-7+/t17-,18+,19+,20+/m0/s1 |
| InChIKey |
DQSHCYDPVQKJSC-ZANPLQDWSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201812216 |
| Molecular Weight |
272.476 g/mol |
| Optical Rotation |
[a]D20 = +23.0 (c = 0.3, CHCl3) |
| Reported Formula |
C20H32 |
| SMILES |
C1\C(=C\CC[C@@](\C=C\[C@]2([C@](C1)([C@](CC2)(C(=C)C)[H])[H])C)(C)[H])C |
| SPLASH |
splash10-057i-6910000000-a710aa176b65b9fe6a77 |
| Source of Spectrum |
ACI-58-SM5-3 |
| Synonyms |
(+)-2,7,18-Dolabellatriene |
| Thin-Layer Chromatography |
Rf = 0.53 (pentane) |
| Wiley ID |
1840413 |
![(3S,3aR,6E,10S,11E,12aS)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,9,10,12a-decahydrocyclopenta[11]annulene](/api/spectrum/3eMCT7jiC0/structure.png?h=300&w=458 "(3S,3aR,6E,10S,11E,12aS)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,9,10,12a-decahydrocyclopenta[11]annulene")
