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6-Oxaestra-1,3,5(10)-trien-7-one, 17-(acetyloxy)-3-methoxy-, (8.alpha.,17.beta.)-(.+-.)-
SpectraBase Compound ID JUIcDcNtKGR
InChI InChI=1S/C20H24O5/c1-11(21)24-17-7-6-15-18-14(8-9-20(15,17)2)13-5-4-12(23-3)10-16(13)25-19(18)22/h4-5,10,14-15,17-18H,6-9H2,1-3H3/t14-,15+,17+,18+,20+/m1/s1
InChIKey FQWGONKNTVGKJO-QDHTYBEDSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZjNfNWCcuW
Name 6-Oxaestra-1,3,5(10)-trien-7-one, 17-(acetyloxy)-3-methoxy-, (8.alpha.,17.beta.)-(.+-.)-
Alternate Name(s) Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10)-trien-7-one deriv. (+-)-17.beta.-acetoxy-3-methoxy-6-oxa-8.alpha.-estra-1,3,5(10)-trien-7-one (1S,3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-4-oxo-1,2,3,3a,3b,4,9b,10,11,11a-decahydroindeno[4,5-c]chromen-1-yl acetate
CAS Registry Number 127728-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-11(21)24-17-7-6-15-18-14(8-9-20(15,17)2)13-5-4-12(23-3)10-16(13)25-19(18)22/h4-5,10,14-15,17-18H,6-9H2,1-3H3/t14-,15+,17+,18+,20+/m1/s1
InChIKey FQWGONKNTVGKJO-QDHTYBEDSA-N
Molecular Weight 344.407 g/mol
SMILES C1([C@@]2([C@]3([C@]([C@@](OC(=O)C)(CC3)[H])(C)CC[C@]2([H])c2c(O1)cc(cc2)OC)[H])[H])=O
SPLASH splash10-0006-3934000000-afd051a58adc33f30cc9
Source of Spectrum B-42-1778-12
Wiley ID 1338025