| SpectraBase Spectrum ID |
5Zflyi2zd4Y |
| Name |
3-Methoxy-D-homoestra-2,5(10)-dien-17BETA-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,16-19,21H,3-6,8-12H2,1-2H3 |
| InChIKey |
RXCOHNCGYLSRAI-UHFFFAOYSA-N |
| SMILES |
C1=2CC(=CCC2C2C(CC1)C1C(C(CCC1)O)(C)CC2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811879 |
