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Estra-1,3,5(10)-trien-17-one, 3,4-dimethoxy-, O-methyloxime
SpectraBase Compound ID 91EoGsDLaPE
InChI InChI=1S/C21H29NO3/c1-21-12-11-14-13-7-9-18(23-2)20(24-3)16(13)6-5-15(14)17(21)8-10-19(21)22-25-4/h7,9,14-15,17H,5-6,8,10-12H2,1-4H3/b22-19+
InChIKey CEOQNLSCINRJLE-ZBJSNUHESA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O3iZrarbDF
Name Estra-1,3,5(10)-trien-17-one, 3,4-dimethoxy-, O-methyloxime
Alternate Name(s) 3,4-Dimethoxyestra-1,3,5(10)-trien-17-one o-methyloxime (E)-(3,4-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)-methoxy-amine
CAS Registry Number 74299-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-21-12-11-14-13-7-9-18(23-2)20(24-3)16(13)6-5-15(14)17(21)8-10-19(21)22-25-4/h7,9,14-15,17H,5-6,8,10-12H2,1-4H3/b22-19+
InChIKey CEOQNLSCINRJLE-ZBJSNUHESA-N
Molecular Weight 343.467 g/mol
SMILES CO\N=C/1CCC2C3CCc4c(ccc(OC)c4OC)C3CCC12C
SPLASH splash10-0006-9433000000-2d487c57fa6774f14315
Source of Spectrum W5-30471-0-0
Wiley ID 1337401