Chem
J-GLOBAL ID：200907068000194526   Nikkaji number：J1.003.617H

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

3β-(カルボキシメトキシアセトキシ)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： C34H52O7
Molecular formula furigana： C34-H52-O7
Molecular weight： 572.783
InChI： InChI=1S/C34H52O7/c1-29(2)14-16-34(28(38)39)17-15-32(6)21(22(34)18-29)8-9-24-31(5)12-11-25(41-27(37)20-40-19-26(35)36)30(3,4)23(31)10-13-33(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： VMILUZTZBYEMRC-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)COCC(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • 3β-[(カルボキシメトキシ)アセトキシ]オレアナ-12-エン-28-酸
  • 3β-(カルボキシメトキシアセトキシ)オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-(カルボキシメトキシ)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-(carboxymethoxy)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-[(Carboxymethoxy)acetoxy]oleana-12-ene-28-oic acid
  • 3β-(Carboxymethoxyacetoxy)oleana-12-ene-28-oic acid
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