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Estra-1,3,5(10)-trien-17-one, 3-hydroxy-6-methoxy-, O-methyloxime, (6.beta.)-
SpectraBase Compound ID 4fpwmvorCEv
InChI InChI=1S/C20H27NO3/c1-20-9-8-14-13-5-4-12(22)10-16(13)18(23-2)11-15(14)17(20)6-7-19(20)21-24-3/h4-5,10,14-15,17-18,22H,6-9,11H2,1-3H3/b21-19+
InChIKey MXWCKFRFVBEESY-XUTLUUPISA-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 Kg5ixye47Of
Name Estra-1,3,5(10)-trien-17-one, 3-hydroxy-6-methoxy-, O-methyloxime, (6.beta.)-
CAS Registry Number 74299-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-20-9-8-14-13-5-4-12(22)10-16(13)18(23-2)11-15(14)17(20)6-7-19(20)21-24-3/h4-5,10,14-15,17-18,22H,6-9,11H2,1-3H3/b21-19+
InChIKey MXWCKFRFVBEESY-XUTLUUPISA-N
Molecular Weight 329.440 g/mol
SMILES Oc1ccc2c(C(CC3C4CC\C(=N/OC)C4(CCC23)C)OC)c1
SPLASH splash10-0002-2890000000-4dea3350ba52a47102c9
Source of Spectrum W5-1989-57603-7933
Synonyms 3-Hydroxy-6-methoxyestra-1,3,5(10)-trien-17-one o-methyloxime (17E)-6-methoxy-13-methyl-17-methyloximino-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol (17E)-6-methoxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1327224