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Estra-1,3,5,7,9,15-hexaen-17-one, 3-methoxy-
SpectraBase Compound ID EyHLNC7x8yt
InChI InChI=1S/C19H18O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-8,11,17H,9-10H2,1-2H3
InChIKey DZQVHXYPLISWLY-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX3PeZwLM73
Name Estra-1,3,5,7,9,15-hexaen-17-one, 3-methoxy-
CAS Registry Number 56588-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O2
InChI InChI=1S/C19H18O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-8,11,17H,9-10H2,1-2H3
InChIKey DZQVHXYPLISWLY-UHFFFAOYSA-N
Molecular Weight 278.351 g/mol
SMILES CC12CCc3c4ccc(cc4ccc3C2C=CC1=O)OC
SPLASH splash10-004i-1490000000-b88b942f9302bcaa26f6
Source of Spectrum SD-1981-0-0
Synonyms 3-Methoxyestra-1,3,5(10),6,8,15-hexaen-17-one 3-Methoxy-13-methyl-12,14-dihydro-11H-cyclopenta[a]phenanthren-17-one
Wiley ID 1282499