| SpectraBase Spectrum ID |
71Pqydw5ba0 |
| Name |
Estra-1,3,5(10)-trien-17-one, 3,14-dihydroxy- |
| CAS Registry Number |
5949-46-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Molecular Weight |
286.371 g/mol |
| SMILES |
Oc1cc2CC[C@@]3([C@](CC[C@]4(C3(CCC4=O)O)C)(c2cc1)[H])[H] |
| SPLASH |
splash10-05fr-1950000000-9cd06532d9892675f8b0 |
| Source of Spectrum |
W5-25734-0-0 |
| Synonyms |
(8R,9S,13S)-13-methyl-3,14-bis(oxidanyl)-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one
(8R,9S,13S)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one
14-Hydroxyestrone |
| Wiley ID |
1290157 |
