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3.beta.,14-Dihydroxy-5.beta.,14.beta.-androstan-17.beta.-yl cyanide
SpectraBase Compound ID 22B3fXWaWi2
InChI InChI=1S/C20H31NO2/c1-17-7-3-8-20(17,23)16-6-11-19(13-21)12-14(22)4-10-18(19,2)15(16)5-9-17/h14-16,22-23H,3-12H2,1-2H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKey ZZKFIUSWWMDUSU-JHQBWLJPSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UmuzEQs4z6
Name 3.beta.,14-Dihydroxy-5.beta.,14.beta.-androstan-17.beta.-yl cyanide
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Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-17-7-3-8-20(17,23)16-6-11-19(13-21)12-14(22)4-10-18(19,2)15(16)5-9-17/h14-16,22-23H,3-12H2,1-2H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKey ZZKFIUSWWMDUSU-JHQBWLJPSA-N
Molecular Weight 317.473 g/mol
SMILES O[C@]12[C@@]3(CC[C@]4([C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@@]2(CCC1)C)[H])C)C#N)[H]
SPLASH splash10-0f6t-0792000000-0b1cb95df1df8ecc186c
Source of Spectrum G-56-1067-0
Synonyms (3beta,5beta,14beta)-3,14-dihydroxyandrostane-5-carbonitrile (3S,8R,9S,10S,13R,14S)-3,14-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-17-carbonitrile
Wiley ID 748336