| SpectraBase Spectrum ID |
DUitF6sqGt4 |
| Name |
(8R,9S,13S,14S)-3-Methoxy-13,15-dimethyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[A]phenanthren-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-12-10-18(21)20(2)9-8-16-15-7-5-14(22-3)11-13(15)4-6-17(16)19(12)20/h5,7,10-11,16-17,19H,4,6,8-9H2,1-3H3/t16-,17-,19-,20-/m1/s1 |
| InChIKey |
WZUOPUVDZOCEEG-HNBVOPMISA-N |
| SMILES |
[C@@]12([C@@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OC)=C4)[H])(C(C)=CC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897875 |
![(8R,9S,13S,14S)-3-methoxy-13,15-dimethyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one](/api/spectrum/DUitF6sqGt4/structure.png?h=300&w=458 "(8R,9S,13S,14S)-3-methoxy-13,15-dimethyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one")
