| SpectraBase Spectrum ID |
1pNQXlfoHaj |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,4-DIOL-17-ONE |
| Alternate Name(s) |
3,4-DIHYDROXYESTRA-1(10),2,4-TRIEN-17-ONE |
| CAS Registry Number |
3131-23-5 |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3 |
| InChIKey |
XQZVQQZZOVBNLU-UHFFFAOYSA-N |
| Nominal Mass |
286 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
C12(C)CCC3C(CCc4c(c(O)ccc34)O)C2CCC1=O |
| SPLASH |
splash10-000i-1290000000-5e47861ce6245d9e8e3e |
| Source File Reference |
LMCM-45856-682T |
| Source of Spectrum |
Copyright (C) Dr. Makin, London Hospital Medical College, UK |
