Chem
J-GLOBAL ID:200907050123648991   Nikkaji number:J570.442A

Oleana-11,13(18)-diene-3β,30-diol bis(2-sodiooxycarbonylbenzoate)

ビス[2-(ソジオオキシカルボニル)安息香酸]オレアナ-11,13(18)-ジエン-3β,30-ジイル
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: C46H54Na2O8
Molecular formula furigana: C46-H54-NA2-O8
Molecular weight: 780.910
InChI: InChI=1S/C46H56O8.2Na/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)54-40(52)31-15-11-9-13-29(31)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-53-39(51)30-14-10-8-12-28(30)37(47)48;;/h8-17,34-36H,18-27H2,1-7H3,(H,47,48)(H,49,50);;/q;2*+1/p-2/t34-,35+,36-,42-,43+,44-,45+,46+;;/m0../s1
InChI key: XILZAPLCOCSFEG-WKVPNNTASA-L
SMILES: C[C@]1(COC(=O)c2ccccc2C(=O)O[Na])CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](OC(=O)c4ccccc4C(=O)O[Na])C(C)(C)[C@@H]2CC[C@@]31C
Systematic name  (7):
  • オレアナ-11,13(18)-ジエン-3β,30-ジオール3,30-ビス[2-(ソジオオキシカルボニル)ベンゾアート]
  • 5α-オレアナ-11,13(18)-ジエン-3β,30-ジオールビス[2-(ソジオオキシカルボニル)ベンゾアート]
  • ビス[2-(ソジオオキシカルボニル)安息香酸]オレアナ-11,13(18)-ジエン-3β,30-ジイル
  • オレアナ-11,13(18)-ジエン-3β,30-ジオールビス(2-ソジオオキシカルボニルベンゾアート)
  • オレアナ-11,13(18)-ジエン-3β,30-ジオールビス[2-(ソジオオキシカルボニル)ベンゾアート]
Show all
Other name (3):
  • Oleana-11,13(18)-diene-3β,30-diol bis(2-sodiooxycarbonylbenzoate)
  • Bis[2-(sodiooxycarbonyl)benzoic acid]oleana-11,13(18)-diene-3β,30-diyl ester
  • Oleana-11,13(18)-diene-3β,30-diol bis[2-(sodiooxycarbonyl)benzoate]
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