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6-Oxaestra-1,3,5(10)-triene-7,17-dione, 3-hydroxy-, (.+-.)-
SpectraBase Compound ID 81iCYDl4m72
InChI InChI=1S/C17H18O4/c1-17-7-6-11-10-3-2-9(18)8-13(10)21-16(20)15(11)12(17)4-5-14(17)19/h2-3,8,11-12,15,18H,4-7H2,1H3/t11-,12+,15-,17+/m1/s1
InChIKey AJSJZNGDEMPAFO-LRHZJYQRSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jh10VlJKrDJ
Name 6-Oxaestra-1,3,5(10)-triene-7,17-dione, 3-hydroxy-, (.+-.)-
CAS Registry Number 127728-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-17-7-6-11-10-3-2-9(18)8-13(10)21-16(20)15(11)12(17)4-5-14(17)19/h2-3,8,11-12,15,18H,4-7H2,1H3/t11-,12+,15-,17+/m1/s1
InChIKey AJSJZNGDEMPAFO-LRHZJYQRSA-N
Molecular Weight 286.327 g/mol
SMILES Oc1cc2OC([C@]3([C@]4([C@](C(=O)CC4)(C)CC[C@]3([H])c2cc1)[H])[H])=O
SPLASH splash10-000i-3890000000-599e86447dfd2b5b35a7
Source of Spectrum B-42-1780-22
Synonyms Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10)-triene-7,17-dione deriv. (+-)-3-Hydroxy-6-oxaestra-1,3,5(10)-triene-7,17-dione (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-2,3,3a,3b,9b,10,11,11a-octahydroindeno[4,5-c]chromene-1,4-dione
Wiley ID 1290011