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Androstane-3,17-diol
SpectraBase Compound ID 1W5EbXAKDLP
InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
InChIKey CBMYJHIOYJEBSB-YISWTCPOSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQVEsV4HRcc
Name 5.BETA.-ANDROSTANE-3.BETA.,17.ALPHA.-DIOL
CAS Registry Number 19767-69-2
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 292.240230268 u
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
InChIKey CBMYJHIOYJEBSB-YISWTCPOSA-N
Molecular Weight 292.463 g/mol
Nominal Mass 292 u
Number of Peaks 130
SMILES O[C@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H]
SPLASH splash10-06fu-7960000000-e2a5589e912524caf256
Source File Reference LMCM-50480-041Y
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTANE-3,17-DIOL (3S,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_2149