| SpectraBase Spectrum ID |
KL6ElpzeVPs |
| Name |
(2E,6S)-6-[(1R,5Z,3aS,9R,10Z,12aR)-1,2,3,3a,4,7,8,9,12,12a-decahydro-9-hydroxy-3a,6,10-trimethylcyclopentanocycloundecen-1-yl]-2-methylhept-2-enoic acid |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O3 |
| InChI |
InChI=1S/C25H40O3/c1-17-9-12-23(26)19(3)10-11-22-21(14-16-25(22,5)15-13-17)18(2)7-6-8-20(4)24(27)28/h8,10,13,18,21-23,26H,6-7,9,11-12,14-16H2,1-5H3,(H,27,28)/b17-13-,19-10-,20-8+/t18-,21+,22+,23+,25+/m0/s1 |
| InChIKey |
BSSJWMDJGNMFKS-JUBNQSSJSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0201164 |
| Molecular Weight |
388.592 g/mol |
| Optical Rotation |
[a]D25 = -45.2 (c = 0.1, MeOH) |
| Reported Formula |
C25H40O3 |
| SMILES |
OC(\C(=C\CC[C@@]([C@@]1([C@]2(C\C=C/([C@@](CC\C(=C/C[C@@]2(CC1)C)C)(O)[H])C)[H])[H])(C)[H])C)=O |
| SPLASH |
splash10-00ej-8926000000-d3d3af4ae81c662304eb |
| Source of Spectrum |
G4-65-1752-2 |
| Wiley ID |
1883544 |
![(2E,6S)-6-[(1R,5Z,3AS,9R,10Z,12AR)-1,2,3,3A,4,7,8,9,12,12A-DECAHYDRO-9-HYDROXY-3A,6,10-TRIMETHYLCYCLOPENTANOCYCLOUNDECEN-1-YL]-2-METHYLHEPT-](/api/spectrum/KL6ElpzeVPs/structure.png?h=300&w=458 "(2E,6S)-6-[(1R,5Z,3AS,9R,10Z,12AR)-1,2,3,3A,4,7,8,9,12,12A-DECAHYDRO-9-HYDROXY-3A,6,10-TRIMETHYLCYCLOPENTANOCYCLOUNDECEN-1-YL]-2-METHYLHEPT-")
