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(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3-aminopropoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3-aminopropoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID GvEwwK9GVuZ
InChI InChI=1S/C23H42N2O3/c1-21-9-7-18(26)14-16(21)4-5-20-19(21)8-10-22(2)17(6-11-23(20,22)27)15-25-28-13-3-12-24/h16-20,25-27H,3-15,24H2,1-2H3/t16-,17-,18+,19+,20-,21+,22-,23+/m1/s1
InChIKey AOJWIMOZVSIYID-GTOCWNLFSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H42N2O3
Exact Mass 394.319543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N0AO0ELbvp
Name (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3-aminopropoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Alternate Name(s) (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3-azanylpropoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H42N2O3
InChI InChI=1S/C23H42N2O3/c1-21-9-7-18(26)14-16(21)4-5-20-19(21)8-10-22(2)17(6-11-23(20,22)27)15-25-28-13-3-12-24/h16-20,25-27H,3-15,24H2,1-2H3/t16-,17-,18+,19+,20-,21+,22-,23+/m1/s1
InChIKey AOJWIMOZVSIYID-GTOCWNLFSA-N
Molecular Weight 394.600 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(CNOCCCN)[H])O)C)[H])C)[H]
SPLASH splash10-000i-0090000000-1c1272ac46025e47ef57
Source of Spectrum F2-43-2344-31
Wiley ID 1600724