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Hookerianamide C

View entire compound with spectra: 1 MS (GC)

Hookerianamide C
SpectraBase Compound ID KdvfVG0Sw1J
InChI InChI=1S/C30H50N2O3/c1-18(2)15-28(34)31-26-16-21-9-10-22-24-12-11-23(19(3)32(7)8)29(24,5)14-13-25(22)30(21,6)17-27(26)35-20(4)33/h15,19,21-27H,9-14,16-17H2,1-8H3,(H,31,34)/t19?,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1
InChIKey RQCWQSRMTYYKEX-OYOSVXDISA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H50N2O3
Exact Mass 486.382143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wEaod6CYHA
Name Hookerianamide C
Alternate Name(s) (2beta,3beta,5alpha,20S)-20-(dimethylamino)-3-[(3-methyl-2-butenoyl)amino]pregnan-2-yl acetate 2-Acetoxy-20-(dimethylamino)-3-[(3'-methylbut-2'-enoyl)amino]-5.alpha.-pregnane Acetic acid[(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]ester Acetic acid[(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-[(3-methyl-1-oxobut-2-enyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]ester [(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]acetate [(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl]ethanoate Acetic acid [(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-[(3-methyl-1-oxobut-2-enyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] ester [(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate [(2S,3R,5S,8R,9S,10S,13S,14S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] ethanoate
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Formula C30H50N2O3
InChI InChI=1S/C30H50N2O3/c1-18(2)15-28(34)31-26-16-21-9-10-22-24-12-11-23(19(3)32(7)8)29(24,5)14-13-25(22)30(21,6)17-27(26)35-20(4)33/h15,19,21-27H,9-14,16-17H2,1-8H3,(H,31,34)/t19?,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1
InChIKey RQCWQSRMTYYKEX-OYOSVXDISA-N
Molecular Weight 486.741 g/mol
SMILES N(C(C=C(C)C)=O)[C@@]1(C[C@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(C(N(C)C)C)[H])[H])([H])CC2)[H])(C[C@@]1(OC(=O)C)[H])C)[H])[H]
SPLASH splash10-00di-9000200000-c8331d9f09a625536a83
Source of Spectrum H-87-1106-3
Wiley ID 1563751