Chem
J-GLOBAL ID：200907098598005389   Nikkaji number：J1.003.621F

3β-[[1-(Carboxymethyl)cyclopentyl]acetyloxy]oleana-12-ene-28-oic acid

3β-[[1-(カルボキシメチル)シクロペンチル]アセチルオキシ]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： C39H60O6
Molecular formula furigana： C39-H60-O6
Molecular weight： 624.903
InChI： InChI=1S/C39H60O6/c1-33(2)18-20-39(32(43)44)21-19-36(6)25(26(39)22-33)10-11-28-35(5)16-13-29(34(3,4)27(35)12-17-37(28,36)7)45-31(42)24-38(23-30(40)41)14-8-9-15-38/h10,26-29H,8-9,11-24H2,1-7H3,(H,40,41)(H,43,44)/t26-,27-,28+,29-,35-,36+,37+,39-/m0/s1
InChI key： KUKJBUDDNZVCSS-LPVMMHRSSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • 3β-[[1-(カルボキシメチル)シクロペンチル]アセチルオキシ]オレアナ-12-エン-28-酸
  • 3β-[[1-(2-オキソ-2-ヒドロキシエチル)シクロペンチル]アセトキシ]オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-({2-[1-(カルボキシメチル)シクロペンチル]アセチル}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-({2-[1-(carboxymethyl)cyclopentyl]acetyl}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 (2)：
  • 3β-[[1-(Carboxymethyl)cyclopentyl]acetyloxy]oleana-12-ene-28-oic acid
  • 3β-[[1-(2-Oxo-2-hydroxyethyl)cyclopentyl]acetoxy]oleana-12-ene-28-oic acid
Thsaurus map：
Thesaurus Map

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