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(3S,5R,8R,9S,10S,13R,14S,17E,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbaldehyde oxime
SpectraBase Compound ID KOQ3vBnlHlv
InChI InChI=1S/C20H33NO3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21-24)5-10-20(17,19)23/h12-17,22-24H,3-11H2,1-2H3/b21-12+/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1
InChIKey WZLOYAKRGVSIHT-QDHGDMKWSA-N
Mol Weight 335.5 g/mol
Molecular Formula C20H33NO3
Exact Mass 335.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc3VPJxT1qG
Name (3S,5R,8R,9S,10S,13R,14S,17E,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbaldehyde oxime
Comments Less than 3 mono-isotopic peaks
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Formula C20H33NO3
InChI InChI=1S/C20H33NO3/c1-18-8-6-15(22)11-13(18)3-4-17-16(18)7-9-19(2)14(12-21-24)5-10-20(17,19)23/h12-17,22-24H,3-11H2,1-2H3/b21-12+/t13-,14-,15+,16+,17-,18+,19-,20+/m1/s1
InChIKey WZLOYAKRGVSIHT-QDHGDMKWSA-N
Molecular Weight 335.488 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(\C=N\O)[H])O)C)[H])C)[H]
SPLASH splash10-0udi-0092000000-3b034df03777bf4cac0e
Source of Spectrum F2-43-2342-1
Synonyms (3S,5R,8R,9S,10S,13R,14S,17E,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxaldehyde oxime (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-hydroxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600752