| SpectraBase Spectrum ID |
jVqoc8Q4A0 |
| Name |
ESTRA-1,3,5(10)-TRIENE-4-BROMO-17.ALPHA.-ETHYNYL-3,17.BETA.-DIOL(3-ACETATE) |
| Alternate Name(s) |
4-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)12-10-18-16-5-6-17-14(15(16)9-11-21(18,22)3)7-8-19(20(17)23)26-13(2)24/h1,7-8,15-16,18,25H,5-6,9-12H2,2-3H3 |
| InChIKey |
ZZJBDQHPIROTLW-UHFFFAOYSA-N |
| Nominal Mass |
416 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
C12(C)CCC3C(CCc4c(c(OC(C)=O)ccc34)Br)C2CCC1(O)C#C |
| SPLASH |
splash10-002f-1396000000-2fe0436561a51a723191 |
| Source File Reference |
LMCM-18990-289M |
| Source of Spectrum |
Copyright (C) Dr. Makin, London Hospital Medical College, UK |
