| SpectraBase Spectrum ID |
D6tLdZ7kVb7 |
| Name |
4-BROMO-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
350.088142979 u |
| Formula |
C18H23BrO2 |
| InChI |
InChI=1S/C18H23BrO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1 |
| InChIKey |
WSJCDIBESNMSPH-ZHIYBZGJSA-N |
| Molecular Weight |
351.284 g/mol |
| Nominal Mass |
350 u |
| Number of Peaks |
110 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4ccc(c(c4CC[C@]3([C@@]2(CC1)[H])[H])Br)O)[H])C)[H] |
| SPLASH |
splash10-0udl-1495000000-1476ff79f34ab58773fd |
| Source File Reference |
LMCM-48711-524B |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
4-BROMOESTRA-1(10),2,4-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17S)-4-bromo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_1493 |
