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Androstane-3,7,17-triol
SpectraBase Compound ID ElhHoq0Z0Sg
InChI InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey UFGLFVVFQFFPSV-ZWPGJAPDSA-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 4yX5TpUPnx8
Name 5.ALPHA.-ANDROSTANE-3.BETA.,7.BETA.,17.BETA.-TRIOL
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)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey UFGLFVVFQFFPSV-ZWPGJAPDSA-N
Molecular Weight 308.462 g/mol
Nominal Mass 308 u
Number of Peaks 138
SMILES O[C@@]1([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CC[C@@](C[C@@]2(C1)[H])(O)[H])C)[H])C)(O)[H])[H])[H])[H]
SPLASH splash10-0006-0390000000-5b8b5acb54fb7f1dd5e4
Source File Reference LMCM-97269-921B
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 3.BETA.,7.BETA.,17.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTANE ANDROSTANE-3,7,17-TRIOL (3S,5R,7S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol
Wiley ID 4_39