Chem
J-GLOBAL ID：200907020072337230   Nikkaji number：J1.003.616J

3β-(3,3-Dimethyl-4-carboxybutyryloxy)oleana-12-ene-28-oic acid

3β-(3,3-ジメチル-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： C37H58O6
Molecular formula furigana： C37-H58-O6
Molecular weight： 598.865
InChI： InChI=1S/C37H58O6/c1-31(2)16-18-37(30(41)42)19-17-35(8)23(24(37)20-31)10-11-26-34(7)14-13-27(33(5,6)25(34)12-15-36(26,35)9)43-29(40)22-32(3,4)21-28(38)39/h10,24-27H,11-22H2,1-9H3,(H,38,39)(H,41,42)/t24-,25-,26+,27-,34-,35+,36+,37-/m0/s1
InChI key： RRSVWLBREHQZBN-MINDXIOPSA-N
SMILES： CC(C)(CC(=O)O)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
Systematic name  (5)：
  • 3β-(3,3-ジメチル-4-カルボキシブチリルオキシ)オレアナ-12-エン-28-酸
  • 3β-(5-オキソ-5-ヒドロキシ-3,3-ジメチルバレリルオキシ)オレアナ-12-エン-28-酸
  • 3β-(3,3-ジメチル-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-3,3-ジメチルブタノイル)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-carboxy-3,3-dimethylbutanoyl)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-(3,3-Dimethyl-4-carboxybutyryloxy)oleana-12-ene-28-oic acid
  • 3β-(5-Oxo-5-hydroxy-3,3-dimethylvaleryloxy)oleana-12-ene-28-oic acid
  • 3β-(3,3-Dimethyl-5-oxo-5-hydroxyvaleryloxy)oleana-12-ene-28-oic acid
Thsaurus map：
Thesaurus Map

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