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6-Oxaestra-1,3,5(10)-triene-7,17-dione, 3-methoxy-, (.+-.)-
SpectraBase Compound ID 8NeCQx1ipg1
InChI InChI=1S/C18H20O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,12-13,16H,5-8H2,1-2H3/t12-,13+,16-,18+/m1/s1
InChIKey IJRPZQBYDXEFRH-RGFKIIKPSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1EY2bbcYNz
Name 6-Oxaestra-1,3,5(10)-triene-7,17-dione, 3-methoxy-, (.+-.)-
CAS Registry Number 127761-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,12-13,16H,5-8H2,1-2H3/t12-,13+,16-,18+/m1/s1
InChIKey IJRPZQBYDXEFRH-RGFKIIKPSA-N
Molecular Weight 300.354 g/mol
SMILES C1([C@]2([C@]3([C@](C(=O)CC3)(C)CC[C@]2([H])c2c(O1)cc(cc2)OC)[H])[H])=O
SPLASH splash10-0udi-2956000000-12704f00c482dd94acbd
Source of Spectrum B-42-1780-20
Synonyms Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10)-triene-7,17-dione deriv. (+-)-3-Methoxy-6-oxaestra-1,3,5(10)-triene-7,17-dione (3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-2,3,3a,3b,9b,10,11,11a-octahydroindeno[4,5-c]chromene-1,4-dione
Wiley ID 1303057