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3α,11β-dihydroxy-5α-androstan-17-one
SpectraBase Compound ID 4SMibO1TBN7
InChI InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1
InChIKey PIXFHVWJOVNKQK-PTXZMSDUSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x7rnhLyQPb
Name 5.ALPHA.-ANDROSTANE-3.ALPHA.,11.BETA.-DIOL-17-ONE
CAS Registry Number 57-61-4
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1
InChIKey PIXFHVWJOVNKQK-PTXZMSDUSA-N
Molecular Weight 306.446 g/mol
Nominal Mass 306 u
Number of Peaks 187
SMILES O[C@@]1([C@@]2([C@]3(CC[C@](C[C@@]3(CC[C@]2([C@@]2(CCC([C@]2(C1)C)=O)[H])[H])[H])(O)[H])C)[H])[H]
SPLASH splash10-0a4l-7951000000-10667eb187e77094fe4a
Source File Reference LMCM-93942-127F
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3,11-DIHYDROXYANDROSTAN-17-ONE (3R,5S,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_2860