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ESTRA-1,3,5(10)-TRIENE-3,16.BETA.-17.BETA.-TRIOL-17-METHYLETHER(3,16.BETA.-DI-ACETATE)
SpectraBase Compound ID FSqatIT6RVy
InChI InChI=1S/C23H30O5/c1-13(24)27-16-6-8-17-15(11-16)5-7-19-18(17)9-10-23(3)20(19)12-21(22(23)26-4)28-14(2)25/h6,8,11,18-22H,5,7,9-10,12H2,1-4H3
InChIKey OUMPIODHQWEARZ-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HvpAyfJRDW
Name ESTRA-1,3,5(10)-TRIENE-3,16.BETA.-17.BETA.-TRIOL-17-METHYLETHER(3,16.BETA.-DI-ACETATE)
Alternate Name(s) 16-(ACETYLOXY)-17-METHOXYESTRA-1(10),2,4-TRIEN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H30O5
InChI InChI=1S/C23H30O5/c1-13(24)27-16-6-8-17-15(11-16)5-7-19-18(17)9-10-23(3)20(19)12-21(22(23)26-4)28-14(2)25/h6,8,11,18-22H,5,7,9-10,12H2,1-4H3
InChIKey OUMPIODHQWEARZ-UHFFFAOYSA-N
Nominal Mass 386 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCc4cc(OC(C)=O)ccc34)C2CC(OC(C)=O)C1OC
SPLASH splash10-0006-2559000000-9697590c62bdd5edb0c4
Source File Reference LMCM-45695-564S
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK