Chem
J-GLOBAL ID：200907090327003649   Nikkaji number：J562.618H

3β-(p-Hydroxy-trans-cinnamoyloxy)olean-12-en-28-oic acid

3β-(4-ヒドロキシ-trans-シンナモイルオキシ)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： C39H54O5
Molecular formula furigana： C39-H54-O5
Molecular weight： 602.856
InChI： InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
InChI key： PSKOYUFGDWKJBO-CEDKKCENSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (5)：
  • 3β-(p-ヒドロキシ-trans-シンナモイルオキシ)オレアナ-12-エン-28-酸
  • 3β-(4-ヒドロキシ-trans-シンナモイルオキシ)オレアナ-12-エン-28-酸
  • 3β-[(E)-3-(4-ヒドロキシフェニル)プロペノイルオキシ]オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(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,10S,12aR,12bR,14bS)-10-{[(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 (3)：
  • 3β-(p-Hydroxy-trans-cinnamoyloxy)olean-12-en-28-oic acid
  • 3β-(4-Hydroxy-trans-cinnamoyloxy)oleana-12-ene-28-oic acid
  • 3β-[(E)-3-(4-Hydroxyphenyl)propenoyloxy]oleana-12-ene-28-oic acid
Thsaurus map：
Thesaurus Map

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