| SpectraBase Spectrum ID |
8Rd9DAV9f32 |
| Name |
(8S,9R,13S,14S,17S)-17-Tert-butoxy-13-ethyl-3-methoxy-9,13,14,15,16,17-hexahydro-8H-cyclopenta[A]phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.240230268 u |
| Formula |
C24H32O2 |
| InChI |
InChI=1S/C24H32O2/c1-6-24-14-13-19-18-10-8-17(25-5)15-16(18)7-9-20(19)21(24)11-12-22(24)26-23(2,3)4/h7-10,13-15,19-22H,6,11-12H2,1-5H3/t19-,20+,21-,22-,24-/m0/s1 |
| InChIKey |
PKGURCMTADLLLS-ZMNKMHGQSA-N |
| Molecular Weight |
352.518 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(C=CC4=C([C@@]3(C=C2)[H])C=CC(OC)=C4)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945464 |
![(8S,9R,13S,14S,17S)-17-tert-Butoxy-13-ethyl-3-methoxy-9,13,14,15,16,17-hexahydro-8H-cyclopenta[a]phenanthrene](/api/spectrum/8Rd9DAV9f32/structure.png?h=300&w=458 "(8S,9R,13S,14S,17S)-17-tert-Butoxy-13-ethyl-3-methoxy-9,13,14,15,16,17-hexahydro-8H-cyclopenta[a]phenanthrene")
