| SpectraBase Spectrum ID |
BCF4TvF6AnY |
| Name |
(3S,3aR,6aR,9S,10aR,10bR)-9,10b-dimethyl-6-methylene-3-(prop-1-en-2-yl)tetradecahydrobenzo[e]azulene |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-13(2)16-10-11-20(5)18(16)9-7-15(4)17-8-6-14(3)12-19(17)20/h14,16-19H,1,4,6-12H2,2-3,5H3/t14-,16+,17-,18+,19+,20+/m0/s1 |
| InChIKey |
BVVLUVMIZAWMHA-BQKWTINTSA-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 = -22.2 (c = 0.08, C6D6) |
| Reported Formula |
C20H32 |
| SMILES |
[C@]12(C(CC[C@]3([C@]([C@@]2(C[C@](CC1)(C)[H])[H])(CC[C@@]3(C(=C)C)[H])C)[H])=C)[H] |
| SPLASH |
splash10-06uv-6930000000-0b7f8a03760a1f7c29b6 |
| Source of Spectrum |
ACI-58-SM5-2 |
| Synonyms |
(-)-Spinodiene B |
| Thin-Layer Chromatography |
Rf = 0.73 (pentane) |
| Wiley ID |
1840412 |
![(3S,3aR,6aR,9S,10aR,10bR)-9,10b-dimethyl-6-methylene-3-(prop-1-en-2-yl)tetradecahydrobenzo[e]azulene](/api/spectrum/BCF4TvF6AnY/structure.png?h=300&w=458 "(3S,3aR,6aR,9S,10aR,10bR)-9,10b-dimethyl-6-methylene-3-(prop-1-en-2-yl)tetradecahydrobenzo[e]azulene")
