Chem
J-GLOBAL ID：200907049981623370   Nikkaji number：J505.920H

2α,19,23-Trihydroxy-3β-[(3,4,5-trihydroxybenzoyl)oxy]urs-12-en-28-oic acid β-D-glucopyranosyl ester

3β-ガロイルオキシ-2α,19,23-トリヒドロキシウルサ-12-エン-28-酸β-D-グルコピラノシル
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： C43H62O15
Molecular formula furigana： C43-H62-O15
Molecular weight： 818.954
InChI： InChI=1S/C43H62O15/c1-20-9-12-43(37(54)58-36-32(52)31(51)30(50)26(18-44)56-36)14-13-40(4)22(33(43)42(20,6)55)7-8-28-38(2)17-25(48)34(39(3,19-45)27(38)10-11-41(28,40)5)57-35(53)21-15-23(46)29(49)24(47)16-21/h7,15-16,20,25-28,30-34,36,44-52,55H,8-14,17-19H2,1-6H3/t20-,25-,26-,27-,28-,30-,31+,32-,33-,34+,36+,38+,39+,40-,41-,42-,43+/m1/s1
InChI key： BOJKDXPVZHQDAW-YJYZHTLBSA-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)c6cc(O)c(O)c(O)c6)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 3β-ガロイルオキシ-2α,19,23-トリヒドロキシウルサ-12-エン-28-酸β-D-グルコピラノシル
  • 2α,19,23-トリヒドロキシ-3β-[(3,4,5-トリヒドロキシベンゾイル)オキシ]ウルサ-12-エン-28-酸β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (1R,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-1,11-ジヒドロキシ-9-(ヒドロキシメチル)-1,2,6a,6b,9,12a-ヘキサメチル-10-(3,4,5-トリヒドロキシベンゾイルオキシ)-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-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-1,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxybenzoyloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (1)：
  • 2α,19,23-Trihydroxy-3β-[(3,4,5-trihydroxybenzoyl)oxy]urs-12-en-28-oic acid β-D-glucopyranosyl ester
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