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SALIGNARINE-C;(20S)-2-BETA-HYDROXY-20-(DIMETHYLAMINO)-3-BETA-(SENECIOYLAMINO)-PREGN-5-ENE
SpectraBase Compound ID 2Jm4I2zhWaG
InChI InChI=1S/C28H46N2O2/c1-17(2)14-26(32)29-24-15-19-8-9-20-22-11-10-21(18(3)30(6)7)27(22,4)13-12-23(20)28(19,5)16-25(24)31/h8,14,18,20-25,31H,9-13,15-16H2,1-7H3,(H,29,32)/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey DYWKDRVBLDKWSU-UGNLMWPZSA-N
Mol Weight 442.7 g/mol
Molecular Formula C28H46N2O2
Exact Mass 442.355929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fny93JzVWEq
Name N-[(2S,3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-but-2-enamide
Alternate Name(s) N-[(2S,3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-2-butenamide N-[(2S,3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-but-2-enamide
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Formula C28H46N2O2
InChI InChI=1S/C28H46N2O2/c1-17(2)14-26(32)29-24-15-19-8-9-20-22-11-10-21(18(3)30(6)7)27(22,4)13-12-23(20)28(19,5)16-25(24)31/h8,14,18,20-25,31H,9-13,15-16H2,1-7H3,(H,29,32)/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey DYWKDRVBLDKWSU-UGNLMWPZSA-N
Molecular Weight 442.688 g/mol
SMILES O[C@@]1([C@@](CC=2[C@](C1)([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](N(C)C)(C)[H])[H])C)[H])C)(NC(C=C(C)C)=O)[H])[H]
SPLASH splash10-004i-3000900000-e0201706c472cd8ccf22
Source of Spectrum G4-63-1368-3
Wiley ID 1608638