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Estra-1,3,5(10)-trien-17-one, 3,12.beta.-dihydroxy-
SpectraBase Compound ID IRIw6PHgXzf
InChI InChI=1S/C18H22O3/c1-18-15(6-7-16(18)20)13-4-2-10-8-11(19)3-5-12(10)14(13)9-17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3
InChIKey QLSNMFRUPMBKHW-UHFFFAOYSA-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 LJl0UwbPusT
Name Estra-1,3,5(10)-trien-17-one, 3,12.beta.-dihydroxy-
CAS Registry Number 17736-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-18-15(6-7-16(18)20)13-4-2-10-8-11(19)3-5-12(10)14(13)9-17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3
InChIKey QLSNMFRUPMBKHW-UHFFFAOYSA-N
Molecular Weight 286.371 g/mol
SMILES OC1C2(C(CCC2C2CCc3c(ccc(c3)O)C2C1)=O)C
SPLASH splash10-01pa-4980000000-946aee28862165c5a1d7
Source of Spectrum W5-25737-0-0
Synonyms 3,12-Dihydroxyestra-1,3,5(10)-trien-17-one 13-Methyl-3,12-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 3,12-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1290156