| SpectraBase Spectrum ID |
Itb9bI4TJpJ |
| Name |
(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene |
| Appearance |
Colourless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.250401030 u |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-13-6-8-16-17-18(3,4)10-11-19(17,5)12-20(16)14(2)7-9-15(13)20/h14,16-17H,6-12H2,1-5H3/t14-,16-,17+,19+,20+/m0/s1 |
| InChIKey |
WFXPJSKWJXCYJM-TWRRNRRFSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803800 |
| Molecular Weight |
272.476 g/mol |
| Optical Rotation |
[a]D25 = -27.2 (c = 0.41, CHCl3) |
| Quality |
427 |
| Reported Formula |
C20H32 |
| SMILES |
C1[C@]23[C@]([C@]4([C@@]1(CCC4(C)C)C)[H])(CCC(=C2CC[C@@]3(C)[H])C)[H] |
| SPLASH |
splash10-0zfr-1390000000-cc01bf3d64f0587f39cd |
| Sample Comments |
(-)-Phomopsene |
| Source of Spectrum |
ACI-57-SM26-2 (DOI: 10.1002/anie.201803800) |
| Thin-Layer Chromatography |
0.81 (pentane) |
| Wiley ID |
1891093 |
![(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene](/api/spectrum/Itb9bI4TJpJ/structure.png?h=300&w=458 "(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene")
