| SpectraBase Spectrum ID |
HJnyfL6nvwj |
| Name |
ESTRA-1,3,5(10)-TRIENE-2-BROMO-17.ALPHA.-ETHYNYL-3,17.BETA.-DIOL(3-ACETATE) |
| Alternate Name(s) |
2-BROMO-17-ETHYNYL-17-HYDROXYESTRA-1(10),2,4-TRIEN-3-YL ACETATE |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C22H25BrO3 |
| InChI |
InChI=1S/C22H25BrO3/c1-4-22(25)10-8-18-16-6-5-14-11-20(26-13(2)24)19(23)12-17(14)15(16)7-9-21(18,22)3/h1,11-12,15-16,18,25H,5-10H2,2-3H3 |
| InChIKey |
KYISBMVSGOCCIT-UHFFFAOYSA-N |
| Nominal Mass |
416 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
C12(C)CCC3C(CCc4cc(OC(C)=O)c(Br)cc34)C2CCC1(O)C#C |
| SPLASH |
splash10-0096-1298000000-14ae8b3ca2a61af9d1e7 |
| Source File Reference |
LMCM-95337-963D |
| Source of Spectrum |
Copyright (C) Dr. Makin, London Hospital Medical College, UK |
