Chem
J-GLOBAL ID：200907014150274916   Nikkaji number：J348.339H

24-[3-(4-Hydroxyphenyl)acryloyl]-2α,3β-dihydroxyurs-12-en-28-oic acid

24-[3-(4-ヒドロキシフェニル)アクリロイル]-2α,3β-ジヒドロキシウルサ-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/c1-23-15-18-39(34(44)45)20-19-37(5)28(32(39)24(23)2)13-14-31-35(3)22-29(42)33(43)36(4,30(35)16-17-38(31,37)6)21-27(41)12-9-25-7-10-26(40)11-8-25/h7-13,23-24,29-33,40,42-43H,14-22H2,1-6H3,(H,44,45)/t23-,24+,29-,30-,31-,32+,33+,35+,36-,37-,38-,39+/m1/s1
InChI key： VMPIDBQCAPWVFB-GOEROHLTSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CC(=O)C=Cc6ccc(O)cc6)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 24-[3-(4-ヒドロキシフェニル)アクリロイル]-2α,3β-ジヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-ジヒドロキシ-9-[4-(4-ヒドロキシフェニル)-2-オキソブタ-3-エン-1-イル]-1,2,6a,6b,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,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-[4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl]-1,2,6a,6b,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 (1)：
  • 24-[3-(4-Hydroxyphenyl)acryloyl]-2α,3β-dihydroxyurs-12-en-28-oic acid
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