| SpectraBase Spectrum ID |
HHgBhRws4Wj |
| Name |
3-Hydroxyestra-1,2,4-trien-17-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey |
DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Molecular Weight |
270.372 g/mol |
| SMILES |
Oc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(CCc2c1)[H])(CCC4=O)[H])C)[H] |
| SPLASH |
splash10-00di-0690000000-5f89b02fb5c0d7c787ab |
| Source of Spectrum |
AT-31-6226-4 |
| Synonyms |
(8R,9S,13S,14S)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Wiley ID |
835838 |
