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Estra-1,3,5(10)-trien-16-one, 17-hydroxy-3-methoxy-, O-methyloxime, (17.beta.)-
SpectraBase Compound ID IDLfUUTDBIQ
InChI InChI=1S/C20H27NO3/c1-20-9-8-15-14-7-5-13(23-2)10-12(14)4-6-16(15)17(20)11-18(19(20)22)21-24-3/h5,7,10,15-17,19,22H,4,6,8-9,11H2,1-3H3/b21-18+
InChIKey BWIPEZRWPWMGGE-DYTRJAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21d6tVYfXeq
Name Estra-1,3,5(10)-trien-16-one, 17-hydroxy-3-methoxy-, O-methyloxime, (17.beta.)-
Alternate Name(s) 17-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one o-methyloxime (16E)-3-methoxy-13-methyl-16-methyloximino-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol (16E)-3-methoxy-16-methoxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CAS Registry Number 69833-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-20-9-8-15-14-7-5-13(23-2)10-12(14)4-6-16(15)17(20)11-18(19(20)22)21-24-3/h5,7,10,15-17,19,22H,4,6,8-9,11H2,1-3H3/b21-18+
InChIKey BWIPEZRWPWMGGE-DYTRJAOYSA-N
Molecular Weight 329.440 g/mol
SMILES OC1C2(CCC3c4c(CCC3C2C\C1=N\OC)cc(cc4)OC)C
SPLASH splash10-052b-0490000000-5aa5a3e1d7c0fcf17819
Source of Spectrum W5-29455-0-0
Wiley ID 1327225