Chem
J-GLOBAL ID：200907058038201466   Nikkaji number：J1.003.618F

3β-(4-Carboxybutyryloxy)oleana-12-ene-28-oic acid

3β-(4-カルボキシブチリルオキシ)オレアナ-12-エン-28-酸
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： C35H54O6
Molecular formula furigana： C35-H54-O6
Molecular weight： 570.811
InChI： InChI=1S/C35H54O6/c1-30(2)17-19-35(29(39)40)20-18-33(6)22(23(35)21-30)11-12-25-32(5)15-14-26(41-28(38)10-8-9-27(36)37)31(3,4)24(32)13-16-34(25,33)7/h11,23-26H,8-10,12-21H2,1-7H3,(H,36,37)(H,39,40)/t23-,24-,25+,26-,32-,33+,34+,35-/m0/s1
InChI key： NVEQPGMRTSPJGZ-FVWYBJPTSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (5)：
  • 3β-(4-カルボキシブチリルオキシ)オレアナ-12-エン-28-酸
  • 3β-[(1,5-ジオキソ-5-ヒドロキシペンチル)オキシ]オレアナ-12-エン-28-酸
  • 3β-(5-オキソ-5-ヒドロキシバレリルオキシ)オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(4-カルボキシブタノイル)オキシ]-2,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(4-carboxybutanoyl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (3)：
  • 3β-(4-Carboxybutyryloxy)oleana-12-ene-28-oic acid
  • 3β-[(1,5-Dioxo-5-hydroxypentyl)oxy]oleana-12-ene-28-oic acid
  • 3β-(5-Oxo-5-hydroxyvaleryloxy)oleana-12-ene-28-oic acid
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