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5.BETA.-ANDROSTAN-3.BETA.-OL
SpectraBase Compound ID 1j9I2YAqgSJ
InChI InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey DJTOLSNIKJIDFF-KYQPOWKGSA-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 Btrf3JG0jDy
Name 5.BETA.-ANDROSTAN-3.BETA.-OL
CAS Registry Number 15360-52-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 276.245315649 u
Formula C19H32O
InChI InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey DJTOLSNIKJIDFF-KYQPOWKGSA-N
Molecular Weight 276.464 g/mol
Nominal Mass 276 u
Number of Peaks 108
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-052f-8690000000-6c61c278e42d62e7b886
Source File Reference LMCM-79788-402U
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-3-OL (3S,5R,8S,9S,10S,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 4_1112