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3.BETA.-HYDROXY-5.BETA.-ANDROSTAN-17-ONE-METHOXIM
SpectraBase Compound ID 6mBddDY0y3B
InChI InChI=1S/C20H33NO2/c1-19-10-8-14(22)12-13(19)4-5-15-16-6-7-18(21-23-3)20(16,2)11-9-17(15)19/h13-17,22H,4-12H2,1-3H3/b21-18+/t13?,14?,15-,16-,17-,19-,20-/m0/s1
InChIKey MQRMZRCCQGCVFQ-TZAFBYQVSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eJUknhBtfq
Name 3.BETA.-HYDROXY-5.BETA.-ANDROSTAN-17-ONE-METHOXIM
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-19-10-8-14(22)12-13(19)4-5-15-16-6-7-18(21-23-3)20(16,2)11-9-17(15)19/h13-17,22H,4-12H2,1-3H3/b21-18+/t13?,14?,15-,16-,17-,19-,20-/m0/s1
InChIKey MQRMZRCCQGCVFQ-TZAFBYQVSA-N
Molecular Weight 319.489 g/mol
Nominal Mass 319 u
Number of Peaks 57
SMILES OC1CC[C@@]2([C@]3(CC[C@@]4(\C(CC[C@]4([C@@]3(CCC2C1)[H])[H])=N\OC)C)[H])C
SPLASH splash10-000i-6290000000-74a587b39bc714153582
Source File Reference LMCM-85283-606D
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3-HYDROXYANDROSTAN-17-ONE O-METHYLOXIME (3aS,3bR,9aS,9bS,11aS,E)-3-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one O-methyl oxime
Wiley ID 4_73