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ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3,17.BETA.-DIOL(3,17.BETA.-DI-ACETATE)
SpectraBase Compound ID 6KNCwAvvLxo
InChI InChI=1S/C23H30O4/c1-13-11-16-12-17(26-14(2)24)5-6-18(16)19-9-10-23(4)20(22(13)19)7-8-21(23)27-15(3)25/h5-6,12-13,19-22H,7-11H2,1-4H3
InChIKey OGALSXUOOAVWIU-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZYt2xJ41md
Name ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3,17.BETA.-DIOL(3,17.BETA.-DI-ACETATE)
Alternate Name(s) 17-(ACETYLOXY)-7-METHYLESTRA-1(10),2,4-TRIEN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-13-11-16-12-17(26-14(2)24)5-6-18(16)19-9-10-23(4)20(22(13)19)7-8-21(23)27-15(3)25/h5-6,12-13,19-22H,7-11H2,1-4H3
InChIKey OGALSXUOOAVWIU-UHFFFAOYSA-N
Nominal Mass 370 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12CCC(OC(C)=O)C1(C)CCC1c3ccc(cc3CC(C)C21)OC(C)=O
SPLASH splash10-004i-2938000000-d971f09500946e114643
Source File Reference LMCM-49344-333G
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK