| SpectraBase Spectrum ID |
LQugNo4wzKj |
| Name |
ESTRA-1,3,5(10)-TRIENE-2,3-DIOL-17-ONE |
| CAS Registry Number |
362-06-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.156894565 u |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 |
| InChIKey |
SWINWPBPEKHUOD-JPVZDGGYSA-N |
| Molecular Weight |
286.371 g/mol |
| Nominal Mass |
286 u |
| Number of Peaks |
128 |
| SMILES |
Oc1c(cc2CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3(c2c1)[H])C)=O)[H])[H])O |
| SPLASH |
splash10-000i-2590000000-51dd3d12cb2fa9cd05a9 |
| Source File Reference |
LMCM-93473-803H |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2,3-DIHYDROXYESTRA-1(10),2,4-TRIEN-17-ONE
(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one |
| Wiley ID |
4_1599 |
