| SpectraBase Spectrum ID |
IzUBCNAoAEv |
| Name |
Estra-1,3,5(10)-trien-17-one, 3,14-dihydroxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.156894565 u |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-17-8-6-14-13-4-3-12(19)10-11(13)2-5-15(14)18(17,21)9-7-16(17)20/h3-4,10,14-15,19,21H,2,5-9H2,1H3/t14-,15-,17-,18?/m1/s1 |
| InChIKey |
AEJPUEILJPVYOZ-MWPGWRTMSA-N |
| SMILES |
C12([C@@](C(=O)CC2)(CC[C@]2([C@]1(CCC=1C=C(O)C=CC21)[H])[H])C)O |
