| SpectraBase Spectrum ID |
G2LkojNaMiJ |
| Name |
7A-Methyl-3-methoxy-D-homo-6-oxa-8A,14-estra-1,3,5(10)-trien-17A-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.188194694 u |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-12-19-15(14-8-7-13(22-3)11-17(14)23-12)9-10-20(2)16(19)5-4-6-18(20)21/h7-8,11-12,15-16,19H,4-6,9-10H2,1-3H3/t12-,15+,16+,19-,20-/m0/s1 |
| InChIKey |
FQFFWFVBDNQBTE-HDEUTIAISA-N |
| Molecular Weight |
314.425 g/mol |
| SMILES |
[C@@]12([C@@]([C@]3([C@@](OC4=C([C@]3(CC2)[H])C=CC(=C4)OC)(C)[H])[H])(CCCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868267 |
