| SpectraBase Spectrum ID |
HOKIoLzA160 |
| Name |
2-BROMO-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3,17.BETA.-DI-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
434.109272345 u |
| Formula |
C22H27BrO4 |
| InChI |
InChI=1S/C22H27BrO4/c1-12(24)26-20-10-14-4-5-16-15(17(14)11-19(20)23)8-9-22(3)18(16)6-7-21(22)27-13(2)25/h10-11,15-16,18,21H,4-9H2,1-3H3/t15-,16+,18-,21-,22-/m0/s1 |
| InChIKey |
SJEALCGIPRMQHF-HIFDQRORSA-N |
| Molecular Weight |
435.358 g/mol |
| Nominal Mass |
434 u |
| Number of Peaks |
90 |
| SMILES |
c1(c(cc2[C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCc2c1)[H])[H])(OC(C)=O)[H])C)[H])Br)OC(C)=O |
| SPLASH |
splash10-0006-0239000000-9fbb5d55d922492ee33a |
| Source File Reference |
LMCM-27478-700T |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-(ACETYLOXY)-2-BROMOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(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-diyl diacetate |
| Wiley ID |
4_1499 |
