Chem
J-GLOBAL ID：200907072181781190   Nikkaji number：J1.134.258B

27-trans-p-Coumaroyloxyursolic acid

27-trans-p-クマロイルオキシウルソール酸
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： C39H54O6
Molecular formula furigana： C39-H54-O6
Molecular weight： 618.855
InChI： InChI=1S/C39H54O6/c1-24-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-26-7-10-27(40)11-8-26)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9+/t24-,25+,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1
InChI key： RZHJGXXCTIXCRI-HLWIYMQRSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (5)：
  • 3β-ヒドロキシ-27-[[(E)-3-(4-ヒドロキシフェニル)プロペノイル]オキシ]ウルサ-12-エン-28-酸
  • 27-(4-ヒドロキシ-trans-シンナモイルオキシ)-3β-ヒドロキシウルサ-12-エン-28-酸
  • 3β-ヒドロキシ-27-(4-ヒドロキシ-trans-シンナモイルオキシ)ウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-6a-({[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}メチル)-1,2,6b,9,9,12a-ヘキサメチル-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
  • (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-6a-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1,2,6b,9,9,12a-hexamethyl-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 (5)：
  • 3β-Hydroxy-27-[[(E)-3-(4-hydroxyphenyl)propenoyl]oxy]urs-12-ene-28-oic acid
  • 27-trans-p-クマロイルオキシウルソール酸
  • 27-trans-p-Coumaroyloxyursolic acid
  • 27-(4-Hydroxy-trans-cinnamoyloxy)-3β-hydroxyurs-12-ene-28-oic acid
  • 3β-Hydroxy-27-(4-hydroxy-trans-cinnamoyloxy)urs-12-ene-28-oic acid
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