| SpectraBase Spectrum ID |
EOFno2TpDHY |
| Name |
(+,-)-17B-T-butoxy-3-methoxy-7-(8->11A)abeo-estra-1,3,5(10)-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.255880333 u |
| Formula |
C23H34O2 |
| InChI |
InChI=1S/C23H34O2/c1-22(2,3)25-21-11-8-17-13-20-16(14-23(17,21)4)7-6-15-12-18(24-5)9-10-19(15)20/h9-10,12,16-17,20-21H,6-8,11,13-14H2,1-5H3/t16-,17?,20+,21-,23?/m0/s1 |
| InChIKey |
NZSRIZCOPBGNQG-OHAISPICSA-N |
| Molecular Weight |
342.523 g/mol |
| SMILES |
C12(C[C@@]3(CCC4=C([C@@]3(CC2CC[C@@]1(OC(C)(C)C)[H])[H])C=CC(OC)=C4)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82076 |
