| SpectraBase Spectrum ID |
6Fr4lvImqbt |
| Name |
16.BETA.-BROMO-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(3-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
390.083057598 u |
| Formula |
C20H23BrO3 |
| InChI |
InChI=1S/C20H23BrO3/c1-11(22)24-13-4-6-14-12(9-13)3-5-16-15(14)7-8-20(2)17(16)10-18(21)19(20)23/h4,6,9,15-18H,3,5,7-8,10H2,1-2H3/t15-,16-,17+,18+,20+/m1/s1 |
| InChIKey |
ZAWRSOOFVJIHLN-JGLNRKDHSA-N |
| Molecular Weight |
391.305 g/mol |
| Nominal Mass |
390 u |
| Number of Peaks |
34 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4(C([C@](C[C@]4([C@@]3(CCc2c1)[H])[H])(Br)[H])=O)C)[H])OC(C)=O |
| SPLASH |
splash10-0f6t-1369000000-b3382f41a54c70f604e4 |
| Source File Reference |
LMCM-90703-961F |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16-BROMO-17-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,16S)-16-bromo-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_1486 |
