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N-[(3S,5S,8R,9S,10S,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-2-butenamide

View entire compound with spectra: 1 MS (GC)

N-[(3S,5S,8R,9S,10S,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-2-butenamide
SpectraBase Compound ID DYzz1KkTjjo
InChI InChI=1S/C28H46N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h10,16,19-22,24-25H,8-9,11-15,17H2,1-7H3,(H,29,31)/t19-,20-,21-,22-,24-,25-,27-,28+/m0/s1
InChIKey PLDBTHJUMAWGCK-JFJVPUGESA-N
Mol Weight 426.7 g/mol
Molecular Formula C28H46N2O
Exact Mass 426.361014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvTo2L7P57j
Name N-[(3S,5S,8R,9S,10S,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-2-butenamide
Alternate Name(s) N-[(3S,5S,8R,9S,10S,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methyl-but-2-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O
InChI InChI=1S/C28H46N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h10,16,19-22,24-25H,8-9,11-15,17H2,1-7H3,(H,29,31)/t19-,20-,21-,22-,24-,25-,27-,28+/m0/s1
InChIKey PLDBTHJUMAWGCK-JFJVPUGESA-N
Molecular Weight 426.689 g/mol
SMILES N(C(C=C(C)C)=O)[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])[C@@](N(C)C)(C)[H])C)[H])C)[H]
SPLASH splash10-03di-4100900000-9486b824044c20d7aa18
Source of Spectrum G4-63-1368-4
Wiley ID 1608637