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2,3,17b-Triacetoxy-estra-1,3,5(10)-triene
SpectraBase Compound ID 4IYWuy8autN
InChI InChI=1S/C24H30O6/c1-13(25)28-21-11-16-5-6-18-17(19(16)12-22(21)29-14(2)26)9-10-24(4)20(18)7-8-23(24)30-15(3)27/h11-12,17-18,20,23H,5-10H2,1-4H3
InChIKey STVSYWGMQNUXIG-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D33lY5TcgQr
Name ESTRA-1,3,5(10)-TRIENE-2,3,17.BETA.-TRIOL(2,3,17.BETA.-TRI-ACETATE)
Alternate Name(s) 2,17-BIS(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-3-YL ACETATE
CAS Registry Number 7291-56-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-13(25)28-21-11-16-5-6-18-17(19(16)12-22(21)29-14(2)26)9-10-24(4)20(18)7-8-23(24)30-15(3)27/h11-12,17-18,20,23H,5-10H2,1-4H3
InChIKey STVSYWGMQNUXIG-UHFFFAOYSA-N
Nominal Mass 414 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCc4cc(OC(C)=O)c(OC(C)=O)cc34)C2CCC1OC(C)=O
SPLASH splash10-00di-1798000000-bbd6dce29d24d7c6d8b3
Source File Reference LMCM-32053-413A
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK