| SpectraBase Spectrum ID |
ESmMEAJ4nNs |
| Name |
ESTRA-1,3,5(10)-TRIENE-4-BROMO-17.ALPHA.-ETHYNYL-3,17.BETA.-DIOL |
| Alternate Name(s) |
4-BROMO-17-ETHYNYLESTRA-1(10),2,4-TRIENE-3,17-DIOL |
| Copyright |
Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H23BrO2 |
| InChI |
InChI=1S/C20H23BrO2/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(22)18(15)21)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,22-23H,4-5,8-11H2,2H3 |
| InChIKey |
FYFUAXFBTZOEIA-UHFFFAOYSA-N |
| Nominal Mass |
374 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
C12(C)CCC3C(CCc4c(c(O)ccc34)Br)C2CCC1(O)C#C |
| SPLASH |
splash10-0006-1294000000-ee54cd0ddc830dc3a2b3 |
| Source File Reference |
LMCM-42614-890H |
| Source of Spectrum |
Copyright (C) Dr. Makin, London Hospital Medical College, UK |
