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Estra-1,3,5(10)-trien-17-one, 4-hydroxy-3-methoxy-, O-methyloxime
SpectraBase Compound ID IExO7mvuusL
InChI InChI=1S/C20H27NO3/c1-20-11-10-13-12-6-8-17(23-2)19(22)15(12)5-4-14(13)16(20)7-9-18(20)21-24-3/h6,8,13-14,16,22H,4-5,7,9-11H2,1-3H3/b21-18+
InChIKey HSTWPOQBTAKMFS-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 C9xThvgQIe3
Name Estra-1,3,5(10)-trien-17-one, 4-hydroxy-3-methoxy-, O-methyloxime
Alternate Name(s) 4-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one o-methyloxime (17E)-3-methoxy-13-methyl-17-methyloximino-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-ol (17E)-3-methoxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-ol
CAS Registry Number 74299-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-20-11-10-13-12-6-8-17(23-2)19(22)15(12)5-4-14(13)16(20)7-9-18(20)21-24-3/h6,8,13-14,16,22H,4-5,7,9-11H2,1-3H3/b21-18+
InChIKey HSTWPOQBTAKMFS-DYTRJAOYSA-N
Molecular Weight 329.440 g/mol
SMILES Oc1c(ccc2c1CCC1C3CC\C(=N/OC)C3(CCC21)C)OC
SPLASH splash10-004m-4794000000-d5947ce1dda6c6b86ee3
Source of Spectrum W5-29459-0-0
Wiley ID 1327226