| SpectraBase Spectrum ID |
JzvUfqmpx9N |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,4-DIOL-17-ONE |
| CAS Registry Number |
3131-23-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.156894565 u |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1 |
| InChIKey |
XQZVQQZZOVBNLU-QDTBLXIISA-N |
| Molecular Weight |
286.371 g/mol |
| Nominal Mass |
286 u |
| Number of Peaks |
44 |
| SMILES |
Oc1c2CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3(c2ccc1O)[H])C)=O)[H])[H] |
| SPLASH |
splash10-000i-1290000000-5e47861ce6245d9e8e3e |
| Source File Reference |
LMCM-45856-682T |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,4-DIHYDROXYESTRA-1(10),2,4-TRIEN-17-ONE
(8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one |
| Wiley ID |
4_1477 |
