| SpectraBase Spectrum ID |
LPfTU9D45f0 |
| Name |
(+,-)-17B-T-butoxy-3-methoxy-7(8->11)abeo-estra-1,3,4(10),9(11)-tetraene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.240230268 u |
| Formula |
C23H32O2 |
| InChI |
InChI=1S/C23H32O2/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/h9-10,12,17,21H,6-8,11,13-14H2,1-5H3/t17?,21-,23?/m0/s1 |
| InChIKey |
VLDLYZRUBAEDFO-QKTWPWEVSA-N |
| Molecular Weight |
340.507 g/mol |
| SMILES |
C12=C(CC3(C(C2)CC[C@@]3(OC(C)(C)C)[H])C)CCC2=C1C=CC(OC)=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873606 |
