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3-Methoxy-9,10-secoestra-1,3,5(10)-triene-9,17-dione
SpectraBase Compound ID 85lBw6bZjhj
InChI InChI=1S/C19H24O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-5,12,15-16H,6-11H2,1-2H3/t15?,16?,19-/m0/s1
InChIKey MSUOJYJLUZEGBP-RJYAGPCLSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hax1kJKtgZe
Name 3-Methoxy-9,10-secoestra-1,3,5(10)-triene-9,17-dione
CAS Registry Number 968-98-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-5,12,15-16H,6-11H2,1-2H3/t15?,16?,19-/m0/s1
InChIKey MSUOJYJLUZEGBP-RJYAGPCLSA-N
Molecular Weight 300.398 g/mol
SMILES [C@]12(C(C(CCc3cc(OC)ccc3)C(CC1)=O)CCC2=O)C
SPLASH splash10-001i-0901000000-2da7b93d8da2bfad6daf
Source of Spectrum J-53-5537-14
Synonyms 1-Methoxy-9,10-secoestra-1(10),2,4-triene-9,17-dione (7aS)-4-[2-(3-methoxyphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Wiley ID 1303241