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5-ALPHA-ANDROSTAN-12-ALPHA-OL
SpectraBase Compound ID 4p18kytvOwK
InChI InChI=1S/C19H32O/c1-18-10-4-3-6-13(18)8-9-14-15-7-5-11-19(15,2)17(20)12-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19-/m1/s1
InChIKey KDKLZGDAIOABBP-WREXDLNZSA-N
Mol Weight 276.5 g/mol
Molecular Formula C19H32O
Exact Mass 276.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID o1swqlRnk
Name 5.ALPHA.-ANDROSTAN-12.ALPHA.-OL
CAS Registry Number 25814-82-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 276.245315649 u
Formula C19H32O
InChI InChI=1S/C19H32O/c1-18-10-4-3-6-13(18)8-9-14-15-7-5-11-19(15,2)17(20)12-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19-/m1/s1
InChIKey KDKLZGDAIOABBP-WREXDLNZSA-N
Molecular Weight 276.464 g/mol
Nominal Mass 276 u
Number of Peaks 51
SMILES O[C@@]1([C@@]2(CCC[C@]2([C@@]2(CC[C@]3(CCCC[C@@]3([C@]2(C1)[H])C)[H])[H])[H])C)[H]
SPLASH splash10-0aov-7590000000-2d6cb553e97b4212f673
Source File Reference LMCM-81331-082N
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-12-OL (5R,8R,9S,10S,12S,13R,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-12-ol
Wiley ID 4_1369