Chem
J-GLOBAL ID：200907065890285184   Nikkaji number：J1.169.422E

PA-457

PA-457
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H56O6
Molecular formula furigana： C36-H56-O6
Molecular weight： 584.838
InChI： InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
InChI key： YJEJKUQEXFSVCJ-WRFMNRASSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (11)：
  • 3β-[(3,3-ジメチル-3-カルボキシプロピオニル)オキシ]ルパ-20(29)-エン-28-酸
  • 3β-(4-ヒドロキシ-3,3-ジメチル-1,4-ジオキソブトキシ)ルパ-20(29)-エン-28-酸
  • 3β-(3-カルボキシ-3-メチル-1-オキソブトキシ)ルパ-20(29)-エン-28-酸
  • 3β-(3,3-ジメチル-4-オキソ-4-ヒドロキシブチリルオキシ)ルパ-20(29)-エン-28-酸
  • 3β-[(3-メチル-3-カルボキシブチリル)オキシ]ルパ-20(29)-エン-28-酸
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Other name (16)：
  • 3β-[(3,3-Dimethyl-3-carboxypropionyl)oxy]lupa-20(29)-ene-28-oic acid
  • 3β-(4-Hydroxy-3,3-dimethyl-1,4-dioxobutoxy)lupa-20(29)-ene-28-oic acid
  • 3β-(3-Carboxy-3-methyl-1-oxobutoxy)lupa-20(29)-ene-28-oic acid
  • YK-FH312
  • 3β-(3,3-Dimethyl-4-oxo-4-hydroxybutyryloxy)lupa-20(29)-ene-28-oic acid
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