| SpectraBase Spectrum ID |
H9xev0oGC72 |
| Name |
Estra-1,3,5(10)-trien-16-one, 3-hydroxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,15-17,19H,2,4,6-7,9-10H2,1H3 |
| InChIKey |
VUQQUDLAAJRNMK-UHFFFAOYSA-N |
| Molecular Weight |
270.372 g/mol |
| SMILES |
C1(=CC=C2C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC(C2)=O)[H])C)[H])[H])O |
