Chem
J-GLOBAL ID：200907067690896106   Nikkaji number：J839.877A

3β-(3-Carboxypropionyloxy)oleana-12-ene-28-oic acid

3β-(3-カルボキシプロピオニルオキシ)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： C34H52O6
Molecular formula furigana： C34-H52-O6
Molecular weight： 556.784
InChI： InChI=1S/C34H52O6/c1-29(2)16-18-34(28(38)39)19-17-32(6)21(22(34)20-29)8-9-24-31(5)14-13-25(40-27(37)11-10-26(35)36)30(3,4)23(31)12-15-33(24,32)7/h8,22-25H,9-20H2,1-7H3,(H,35,36)(H,38,39)/t22-,23-,24+,25-,31-,32+,33+,34-/m0/s1
InChI key： ZLVQQEYNCCJVLQ-VGBCDPHKSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (5)：
  • 3β-(4-オキソ-4-ヒドロキシブチリルオキシ)オレアナ-12-エン-28-酸
  • 3β-(3-カルボキシプロピオニルオキシ)オレアナ-12-エン-28-酸
  • 3β-(1,4-ジオキソ-4-ヒドロキシブトキシ)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-carboxypropanoyl)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-Oxo-4-hydroxybutyryloxy)olean-12-en-28-oic acid
  • 3β-(3-Carboxypropionyloxy)oleana-12-ene-28-oic acid
  • 3β-(1,4-Dioxo-4-hydroxybutoxy)oleana-12-ene-28-oic acid
Thsaurus map：
Thesaurus Map

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