| SpectraBase Spectrum ID |
1yCgaodLVgw |
| Name |
(3S,8R,9S,10R,17S)-17-[(1R)-2-Hydroxy-1-methyl-ethyl]-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 |
330.255880333 u |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-14(13-23)21(2)11-9-18-17-5-4-15-12-16(24)8-10-22(15,3)20(17)7-6-19(18)21/h4,14,16-17,20,23-24H,5-13H2,1-3H3/t14-,16-,17-,20-,21-,22-/m0/s1 |
| InChIKey |
DEOFGKIWBBZRLN-VZKZJYJLSA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
C1C[C@]2(C(C[C@]1(O)[H])=CC[C@@]1([C@@]2(CCC2=C1CC[C@]2([C@@](C)(CO)[H])C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874638 |
![(3S,8R,9S,10R,17S)-17-[(1R)-2-hydroxy-1-methyl-ethyl]-10,17-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/1yCgaodLVgw/structure.png?h=300&w=458 "(3S,8R,9S,10R,17S)-17-[(1R)-2-hydroxy-1-methyl-ethyl]-10,17-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ol")
