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5.ALPHA.-ANDROSTANE-3.BETA.,7.BETA.-DIOL
SpectraBase Compound ID GzlPhYaTBvK
InChI InChI=1S/C19H32O2/c1-18-7-3-4-14(18)17-15(6-8-18)19(2)9-5-13(20)10-12(19)11-16(17)21/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey JULRGYHDDLIAHM-VXZRPZIYSA-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 7VtFAI8xvLw
Name 5.ALPHA.-ANDROSTANE-3.BETA.,7.BETA.-DIOL
CAS Registry Number 35494-18-9
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 292.240230268 u
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-18-7-3-4-14(18)17-15(6-8-18)19(2)9-5-13(20)10-12(19)11-16(17)21/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey JULRGYHDDLIAHM-VXZRPZIYSA-N
Molecular Weight 292.463 g/mol
Nominal Mass 292 u
Number of Peaks 124
SMILES O[C@@]1([C@]2([C@@]3(CCC[C@]3(CC[C@@]2([C@]2(CC[C@@](C[C@@]2(C1)[H])(O)[H])C)[H])C)[H])[H])[H]
SPLASH splash10-0a4j-5960000000-288c4966b51548d36cc3
Source File Reference LMCM-37866-207E
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTANE-3,7-DIOL (3S,5R,7S,8S,9S,10S,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Wiley ID 4_2364