| SpectraBase Spectrum ID |
AyK24aAOe |
| Name |
16.BETA.-BROMO-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
348.072492914 u |
| Formula |
C18H21BrO2 |
| InChI |
InChI=1S/C18H21BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-16,20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1 |
| InChIKey |
ONEZAEJNFATWNE-LFRCEIEQSA-N |
| Molecular Weight |
349.268 g/mol |
| Nominal Mass |
348 u |
| Number of Peaks |
53 |
| SMILES |
Oc1ccc2[C@]3(CC[C@@]4(C([C@](C[C@]4([C@@]3(CCc2c1)[H])[H])(Br)[H])=O)C)[H] |
| SPLASH |
splash10-0m4k-1976000000-368a749171bacdacf996 |
| Source File Reference |
LMCM-16666-162W |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16-BROMO-3-HYDROXYESTRA-1(10),2,4-TRIEN-17-ONE
(8R,9S,13S,14S,16S)-16-bromo-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one |
| Wiley ID |
4_1487 |
