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5-ALPHA-ANDROSTANE-3-BETA,16-ALPHA,17-BETA-TRIOL
SpectraBase Compound ID Kl2JVD2y7QC
InChI InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
InChIKey CXGDRQWRJUSSAR-CJZYGSATSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UN6HRaJ16
Name 5.ALPHA.-ANDROSTANE-3.BETA.,16.ALPHA.,17.BETA.-TRIOL
CAS Registry Number 19316-59-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 308.235144887 u
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
InChIKey CXGDRQWRJUSSAR-CJZYGSATSA-N
Molecular Weight 308.462 g/mol
Nominal Mass 308 u
Number of Peaks 126
SMILES O[C@]1([C@@]([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(C1)[H])[H])[H])(O)[H])C)[H])C)(O)[H])[H]
SPLASH splash10-05nf-1290000000-d0ce6fc89c6059de7119
Source File Reference LMCM-20687-926W
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3.BETA.,16.ALPHA.,17.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTANE ANDROSTANE-3,16,17-TRIOL (3S,5S,8R,9S,10S,13S,14S,16R,17R)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
Wiley ID 4_6