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ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(17-O-METHYLOXIME)
SpectraBase Compound ID 2UMnXcaFFo6
InChI InChI=1S/C19H25NO2/c1-19-10-9-15-14-6-4-13(21)11-12(14)3-5-16(15)17(19)7-8-18(19)20-22-2/h4,6,11,15-17,21H,3,5,7-10H2,1-2H3/b20-18+/t15-,16-,17+,19+/m1/s1
InChIKey PBXZSAMJKKLMEF-YDKWXADCSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OB10QswwU1
Name ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE-17-(O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 299.188529047 u
Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-19-10-9-15-14-6-4-13(21)11-12(14)3-5-16(15)17(19)7-8-18(19)20-22-2/h4,6,11,15-17,21H,3,5,7-10H2,1-2H3/b20-18+/t15-,16-,17+,19+/m1/s1
InChIKey PBXZSAMJKKLMEF-YDKWXADCSA-N
Molecular Weight 299.414 g/mol
Nominal Mass 299 u
Number of Peaks 61
SMILES Oc1ccc2[C@]3(CC[C@@]4(\C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=N\OC)C)[H]
SPLASH splash10-014j-2390000000-9dec3c284e348fd039bd
Source File Reference LMCM-41232-457N
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3-HYDROXYESTRA-1(10),2,4-TRIEN-17-ONE O-METHYLOXIME (3aS,3bR,9bS,11aS,E)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one O-methyl oxime
Wiley ID 4_2091