| SpectraBase Spectrum ID |
8zScDzPvCtZ |
| Name |
2-BROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
374.088142979 u |
| Formula |
C20H23BrO2 |
| InChI |
InChI=1S/C20H23BrO2/c1-3-20(23)9-7-16-14-5-4-12-10-18(22)17(21)11-15(12)13(14)6-8-19(16,20)2/h1,10-11,13-14,16,22-23H,4-9H2,2H3/t13-,14+,16-,19-,20-/m0/s1 |
| InChIKey |
GBWFPAZWDFDHNA-BKRJIHRRSA-N |
| Molecular Weight |
375.306 g/mol |
| Nominal Mass |
374 u |
| Number of Peaks |
201 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4cc(c(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)Br)[H])C)C#C |
| SPLASH |
splash10-0006-1294000000-2d078500b7632110e66c |
| Source File Reference |
LMCM-55172-946E |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2-BROMO-17-ETHYNYLESTRA-1(10),2,4-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17R)-2-bromo-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_1497 |
