Chem
J-GLOBAL ID：200907023944505440   Nikkaji number：J1.003.614C

3β-(3-Methyl-3-carboxybutyryloxy)oleana-12-ene-28-oic acid

3β-(3-メチル-3-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： C36H56O6
Molecular formula furigana： C36-H56-O6
Molecular weight： 584.838
InChI： InChI=1S/C36H56O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h10,23-26H,11-21H2,1-9H3,(H,38,39)(H,40,41)/t23-,24-,25+,26-,33-,34+,35+,36-/m0/s1
InChI key： CILDPQKNQAUATK-NIWPVQCVSA-N
SMILES： CC(C)(CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)O)C1(C)C)C(=O)O
Systematic name  (4)：
  • 3β-(3-メチル-3-カルボキシブチリルオキシ)オレアナ-12-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)オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(3-カルボキシ-3,3-ジメチルプロパノイル)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-[(3-carboxy-3,3-dimethylpropanoyl)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-(3-Methyl-3-carboxybutyryloxy)oleana-12-ene-28-oic acid
  • 3β-(4-Hydroxy-3,3-dimethyl-1,4-dioxobutoxy)oleana-12-ene-28-oic acid
Thsaurus map：
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