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Estra-1,3,5(10)-triene-6,17-dione, 3-hydroxy-, bis(O-methyloxime)
SpectraBase Compound ID 3ievGNgewpQ
InChI InChI=1S/C20H26N2O3/c1-20-9-8-14-13-5-4-12(23)10-16(13)18(21-24-2)11-15(14)17(20)6-7-19(20)22-25-3/h4-5,10,14-15,17,23H,6-9,11H2,1-3H3/b21-18+,22-19+
InChIKey HJPWHUMRJFAYRG-MGJZZARISA-N
Mol Weight 342.44 g/mol
Molecular Formula C20H26N2O3
Exact Mass 342.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtwYkhC6ZZe
Name Estra-1,3,5(10)-triene-6,17-dione, 3-hydroxy-, bis(O-methyloxime)
CAS Registry Number 69833-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O3
InChI InChI=1S/C20H26N2O3/c1-20-9-8-14-13-5-4-12(23)10-16(13)18(21-24-2)11-15(14)17(20)6-7-19(20)22-25-3/h4-5,10,14-15,17,23H,6-9,11H2,1-3H3/b21-18+,22-19+
InChIKey HJPWHUMRJFAYRG-MGJZZARISA-N
Molecular Weight 342.439 g/mol
SMILES Oc1cc2c(C3C(C\C2=N\OC)C2C(CC3)(C)\C(CC2)=N\OC)cc1
SPLASH splash10-01ox-8797000000-dc322f210f1e2148d201
Source of Spectrum W5-30399-0-0
Synonyms 3-Hydroxyestra-1,3,5(10)-triene-6,17-dione bis(O-methyloxime) (6E,17E)-13-methyl-6,17-bis(methyloximino)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ol (6E,17E)-6,17-bis(methoxyimino)-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-ol
Wiley ID 1336697