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PUBOESTRENE;3-ACETOXY-17-OXO-ESTRA-1,3,5(10)-TRIENE
SpectraBase Compound ID 6RB3rJjfY6Q
InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3
InChIKey KDPQTPZDVJHMET-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KGZFh4tSFL
Name ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(3-ACETATE)
Alternate Name(s) 17-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
CAS Registry Number 901-93-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3
InChIKey KDPQTPZDVJHMET-UHFFFAOYSA-N
Nominal Mass 312 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCc4cc(OC(C)=O)ccc34)C2CCC1=O
SPLASH splash10-00di-2791000000-5a61d1c6b437b9375e51
Source File Reference LMCM-81400-548N
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK