Chem
J-GLOBAL ID：200907001653714102   Nikkaji number：J2.402.817H

2α-(4-Hydroxy-trans-cinnamoyloxy)-3β-hydroxy-5α-oleana-12-ene-28-oic acid

2α-(4-ヒドロキシ-trans-シンナモイルオキシ)-3β-ヒドロキシ-5α-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： C39H54O6
Molecular formula furigana： C39-H54-O6
Molecular weight： 618.855
InChI： InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(32(42)35(3,4)29(36)16-17-38(30,37)7)45-31(41)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40,42H,14,16-23H2,1-7H3,(H,43,44)/b15-10+/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
InChI key： SCUAVOSMBKGQAQ-DBNVPYPFSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (3)：
  • 2α-(4-ヒドロキシ-trans-シンナモイルオキシ)-3β-ヒドロキシ-5α-オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10-ヒドロキシ-11-{[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]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,10R,11R,12aR,12bR,14bS)-10-hydroxy-11-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]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 (1)：
  • 2α-(4-Hydroxy-trans-cinnamoyloxy)-3β-hydroxy-5α-oleana-12-ene-28-oic acid
Thsaurus map：
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