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Estra-1,3,5(10)-triene-3,11,17-triol, triacetate, (11.beta.,17.beta.)-
SpectraBase Compound ID JxhmZGyaGxs
InChI InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-19-20-9-10-22(30-15(3)27)24(20,4)12-21(23(18)19)29-14(2)26/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3
InChIKey GEFHORFJVMAZBQ-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 2QhOlQucJaH
Name ESTRA-1,3,5(10)-TRIENE-3,11.BETA.-17.BETA.-TRIOL(3,11.BETA.,17.BETA.-TRI-ACETATE)
Alternate Name(s) 11,17-BIS(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-19-20-9-10-22(30-15(3)27)24(20,4)12-21(23(18)19)29-14(2)26/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3
InChIKey GEFHORFJVMAZBQ-UHFFFAOYSA-N
Nominal Mass 414 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(CCC2C2C(c3ccc(cc3CC2)OC(C)=O)C(OC(C)=O)C1)OC(C)=O
SPLASH splash10-00di-1879000000-d336ed61fb936148d3d4
Source File Reference LMCM-13607-395M
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK