| SpectraBase Spectrum ID |
bHyz3GYooY |
| Name |
Estra-1,3,5(10)-trien-17-ol, 3,4-[1,2-ethanediylbis(oxy)]-, (17.beta.)- |
| 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/c1-20-9-8-13-12-4-6-17-19(23-11-10-22-17)15(12)3-2-14(13)16(20)5-7-18(20)21/h4,6,13-14,16,18,21H,2-3,5,7-11H2,1H3/t13-,14-,16+,18+,20+/m1/s1 |
| InChIKey |
XJTCSUMKCJQQQW-XQRBHQRSSA-N |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC=2OCCOC42)[H])(CC[C@@]1(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83241 |
![Estra-1,3,5(10)-trien-17-ol, 3,4-[1,2-ethanediylbis(oxy)]-, (17.beta.)-](/api/spectrum/bHyz3GYooY/structure.png?h=300&w=458 "Estra-1,3,5(10)-trien-17-ol, 3,4-[1,2-ethanediylbis(oxy)]-, (17.beta.)-")
