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(3.alpha.)-23-(1,3-Dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-3-methylamino-24-nor-5.alpha.,22E-chola-7,22-diene (plakinamine B)
SpectraBase Compound ID LRDB450PiZH
InChI InChI=1S/C31H50N2/c1-21(7-8-23-15-18-33(6)20-22(23)2)27-11-12-28-26-10-9-24-19-25(32-5)13-16-30(24,3)29(26)14-17-31(27,28)4/h7-8,10,21,24-25,27-29,32H,9,11-20H2,1-6H3/b8-7+/t21-,24-,25-,27-,28+,29+,30+,31-/m1/s1
InChIKey WYVDKLLQGBHWHH-MCXVKMLMSA-N
Mol Weight 450.8 g/mol
Molecular Formula C31H50N2
Exact Mass 450.3974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQdQvcMrKJf
Name (3.alpha.)-23-(1,3-Dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-3-methylamino-24-nor-5.alpha.,22E-chola-7,22-diene (plakinamine B)
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Formula C31H50N2
InChI InChI=1S/C31H50N2/c1-21(7-8-23-15-18-33(6)20-22(23)2)27-11-12-28-26-10-9-24-19-25(32-5)13-16-30(24,3)29(26)14-17-31(27,28)4/h7-8,10,21,24-25,27-29,32H,9,11-20H2,1-6H3/b8-7+/t21-,24-,25-,27-,28+,29+,30+,31-/m1/s1
InChIKey WYVDKLLQGBHWHH-MCXVKMLMSA-N
Molecular Weight 450.755 g/mol
SMILES N([C@]1(C[C@@]2([C@@]([C@@]3(C([C@]4([C@@]([C@@]([C@@](\C=C\C5=C(CN(CC5)C)C)(C)[H])(CC4)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H])[H])C
SPLASH splash10-0f80-3000900000-4e3e5cb6ed32f3188efe
Source of Spectrum F-70-1088-2
Synonyms (3R,5R,9R,10S,13R,14R,17R)-17-((R,E)-4-(1,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)but-3-en-2-yl)-N,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-am
Wiley ID 1742426