| SpectraBase Spectrum ID |
LW1sIWaCsP4 |
| Name |
(3S,8R,9S,10R,17S)-17-Isopropenyl-10,17-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[A]phenanthren-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.245315649 u |
| Formula |
C22H32O |
| InChI |
InChI=1S/C22H32O/c1-14(2)21(3)12-10-18-17-6-5-15-13-16(23)9-11-22(15,4)20(17)8-7-19(18)21/h5,16-17,20,23H,1,6-13H2,2-4H3/t16-,17-,20-,21-,22-/m0/s1 |
| InChIKey |
PFWKHAXGDDXHKE-NXQKYAITSA-N |
| SMILES |
C1C[C@]2(C(C[C@]1(O)[H])=CC[C@@]1([C@@]2(CCC2=C1CC[C@]2(C(=C)C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934784 |
![(3S,8R,9S,10R,17S)-17-isopropenyl-10,17-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/LW1sIWaCsP4/structure.png?h=300&w=458 "(3S,8R,9S,10R,17S)-17-isopropenyl-10,17-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ol")
