| SpectraBase Spectrum ID |
2BGyEuu7oOS |
| Name |
4-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)11-9-16-14-4-5-15-12(6-7-17(22)18(15)21)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,22-23H,4-5,8-11H2,2H3/t13-,14-,16+,19+,20+/m1/s1 |
| InChIKey |
FYFUAXFBTZOEIA-RXUQYVRZSA-N |
| Molecular Weight |
375.306 g/mol |
| Nominal Mass |
374 u |
| Number of Peaks |
108 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4ccc(c(c4CC[C@]3([C@@]2(CC1)[H])[H])Br)O)[H])C)C#C |
| SPLASH |
splash10-0006-1294000000-ee54cd0ddc830dc3a2b3 |
| Source File Reference |
LMCM-42614-890H |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
4-BROMO-17-ETHYNYLESTRA-1(10),2,4-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17R)-4-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_1490 |
