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5-ALPHA-ANDROSTAN-4-BETA-OL
SpectraBase Compound ID 894LmL6TESW
InChI InChI=1S/C19H32O/c1-18-10-3-5-14(18)13-7-8-16-17(20)6-4-11-19(16,2)15(13)9-12-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19+/m0/s1
InChIKey HEGJUOCNFOFQSY-ACJJDMNUSA-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 Jk5STwQNXZB
Name 5.ALPHA.-ANDROSTAN-4.BETA.-OL
CAS Registry Number 20707-78-2
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 276.245315649 u
Formula C19H32O
InChI InChI=1S/C19H32O/c1-18-10-3-5-14(18)13-7-8-16-17(20)6-4-11-19(16,2)15(13)9-12-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19+/m0/s1
InChIKey HEGJUOCNFOFQSY-ACJJDMNUSA-N
Molecular Weight 276.464 g/mol
Nominal Mass 276 u
Number of Peaks 101
SMILES O[C@]1(CCC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@@]12[H])[H])[H])C)[H])C)[H]
SPLASH splash10-05ox-9680000000-d0756a730ec1069255b6
Source File Reference LMCM-18210-608S
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-4-OL (4S,5R,8S,9S,10R,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-4-ol
Wiley ID 4_612