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(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(E)-(2-pyrimidinylhydrazinylidene)methyl]-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)-10,13-dimethyl-17-[(E)-(2-pyrimidinylhydrazinylidene)methyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID KdLowEMsBSo
InChI InChI=1S/C24H36N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-27-28-21-25-12-3-13-26-21/h3,12-13,15-20,29-30H,4-11,14H2,1-2H3,(H,25,26,28)/b27-15+/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1
InChIKey LCNZGRUILUNNNN-PWHZFGDDSA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H36N4O2
Exact Mass 412.283826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsnFxzhiCaG
Name (3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(E)-(2-pyrimidinylhydrazinylidene)methyl]-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)-10,13-dimethyl-17-[(E)-(2-pyrimidylhydrazono)methyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol (3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol (3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(E)-(pyrimidin-2-ylhydrazono)methyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
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Formula C24H36N4O2
InChI InChI=1S/C24H36N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-27-28-21-25-12-3-13-26-21/h3,12-13,15-20,29-30H,4-11,14H2,1-2H3,(H,25,26,28)/b27-15+/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1
InChIKey LCNZGRUILUNNNN-PWHZFGDDSA-N
Molecular Weight 412.578 g/mol
SMILES N(\N=C\[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@]4(CC[C@]3([C@]2(CC1)O)[H])[H])(O)[H])C)[H])C)[H])c1ncccn1
SPLASH splash10-00di-3900000000-a30710a9b7d370fffe5a
Source of Spectrum E1-39-3392-4
Wiley ID 1598910