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(+-)-6-Oxa-8-isoestrone methyl ether
SpectraBase Compound ID C9IknXBj3Ck
InChI InChI=1S/C18H22O3/c1-18-8-7-12-13-4-3-11(20-2)9-16(13)21-10-14(12)15(18)5-6-17(18)19/h3-4,9,12,14-15H,5-8,10H2,1-2H3/t12-,14+,15-,18?/m0/s1
InChIKey OBCOZGXLCBVXSS-KEAFFXMMSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fm991s769aM
Name (+-)-6-Oxa-8-isoestrone methyl ether
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-18-8-7-12-13-4-3-11(20-2)9-16(13)21-10-14(12)15(18)5-6-17(18)19/h3-4,9,12,14-15H,5-8,10H2,1-2H3/t12-,14+,15-,18?/m0/s1
InChIKey OBCOZGXLCBVXSS-KEAFFXMMSA-N
Molecular Weight 286.371 g/mol
SMILES C12([C@]([C@@]3(COc4c([C@@]3(CC2)[H])ccc(OC)c4)[H])(CCC1=O)[H])C
SPLASH splash10-03di-0940000000-ede0f0d4466374a08675
Source of Spectrum O1-34-1296-5
Synonyms (3aS,3bR,9bR)-7-methoxy-11a-methyl-3,3a,3b,4,9b,10,11,11a-octahydroindeno[4,5-c]chromen-1(2H)-one
Wiley ID 819459