Chem
J-GLOBAL ID：200907013701943125   Nikkaji number：J490.632B

2α,23-Dihydroxy-3β-[[3-(4-hydroxyphenyl)propenoyl]oxy]urs-12-en-28-oic acid

2α,23-ジヒドロキシ-3β-[[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
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： C39H54O7
Molecular formula furigana： C39-H54-O7
Molecular weight： 634.854
InChI： InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/t23-,24+,28-,29-,30-,32+,33+,35+,36+,37-,38-,39+/m1/s1
InChI key： WKVZBLIEJQJTCN-QPRBOBAISA-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](OC(=O)C=Cc6ccc(O)cc6)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 2α,23-ジヒドロキシ-3β-[[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
  • (1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-11-ヒドロキシ-9-(ヒドロキシメチル)-10-{[3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}-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)-11-hydroxy-9-(hydroxymethyl)-10-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-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)：
  • 2α,23-Dihydroxy-3β-[[3-(4-hydroxyphenyl)propenoyl]oxy]urs-12-en-28-oic acid
Thsaurus map：
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