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3A,17B-DIHYDROXYANDROSTAN-6-ONE
SpectraBase Compound ID 8XhXZZvBErL
InChI InChI=1S/C19H30O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-15,17,20,22H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,17+,18-,19+/m1/s1
InChIKey PBLALJOWRGPTAX-XUGNFZLMSA-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 6doBLZYw3Z3
Name 5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL-6-ONE
CAS Registry Number 49644-08-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-15,17,20,22H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,17+,18-,19+/m1/s1
InChIKey PBLALJOWRGPTAX-XUGNFZLMSA-N
Molecular Weight 306.446 g/mol
Nominal Mass 306 u
Number of Peaks 155
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@@]4(C(C[C@]3([C@@]2(CC1)[H])[H])=O)[H])(O)[H])C)[H])C)[H]
SPLASH splash10-0a4m-9764000000-8e7d0b470542c0ac0c0c
Source File Reference LMCM-54728-813X
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3,17-DIHYDROXYANDROSTAN-6-ONE (3R,5S,8R,9S,10R,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one
Wiley ID 4_2763