| SpectraBase Spectrum ID |
KMuW13awKOC |
| Name |
ESTRA-1,3,5(10)-TRIENE-16.BETA.-BROMO-3-OL-17-ONE |
| Alternate Name(s) |
16-BROMO-3-HYDROXYESTRA-1(10),2,4-TRIEN-17-ONE |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| 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 |
| InChIKey |
ONEZAEJNFATWNE-UHFFFAOYSA-N |
| Nominal Mass |
348 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
C12(C)CCC3C(CCc4cc(O)ccc34)C2CC(Br)C1=O |
| SPLASH |
splash10-0m4k-1976000000-368a749171bacdacf996 |
| Source File Reference |
LMCM-16666-162W |
| Source of Spectrum |
Copyright (C) Dr. Makin, London Hospital Medical College, UK |
