| SpectraBase Spectrum ID |
FKeYbTfnZbl |
| Name |
2-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/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 |
| InChIKey |
SORISAYAZBCIQH-XSSYPUMDSA-N |
| Molecular Weight |
351.284 g/mol |
| Nominal Mass |
350 u |
| Number of Peaks |
77 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4cc(c(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)Br)[H])C)[H] |
| SPLASH |
splash10-0udi-1397000000-9d5c895bb241fdaa4de3 |
| Source File Reference |
LMCM-86409-369P |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2-BROMOESTRA-1(10),2,4-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17S)-2-bromo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_1500 |
