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7.ALPHA.-METHYL-ESTR-4-ENE-17.BETA.-OL-3-ONE
SpectraBase Compound ID 1LDN5tWdWiY
InChI InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey YSGQGNQWBLYHPE-CFUSNLFHSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6d89SKmEwZX
Name 7.ALPHA.-METHYL-ESTR-4-ENE-17.BETA.-OL-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey YSGQGNQWBLYHPE-CFUSNLFHSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 109
SMILES O[C@]1(CC[C@]2([C@@]3([C@@](CC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)(C)[H])[H])[H])[H]
SPLASH splash10-000i-3590000000-800b3845e0084a4613d9
Source File Reference LMCM-35690-115P
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 17.BETA-HYDROXY-7.ALPHA.-METHYLESTR-4-EN-3-ONE 17-HYDROXY-7-METHYLESTR-4-EN-3-ONE (7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_1391