[(20S)-11,29-Dioxo-29-methoxy-5α-oleana-12-ene-3β-yl]4-O-β-D-galactopyranosyl-β-D-glucopyranoside

[(20S)-11,29-ジオキソ-29-メトキシ-5α-オレアナ-12-エン-3β-イル]4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシド

Decided structure
Molecular formula： C₄₃H₆₈O₁₄
Molecular formula furigana： C43-H68-O14
Molecular weight： 809.003

InChI： InChI=1S/C43H68O14/c1-38(2)26-9-12-43(7)34(23(46)17-21-22-18-40(4,37(52)53-8)14-13-39(22,3)15-16-42(21,43)6)41(26,5)11-10-27(38)56-35-32(51)30(49)33(25(20-45)55-35)57-36-31(50)29(48)28(47)24(19-44)54-36/h17,22,24-36,44-45,47-51H,9-16,18-20H2,1-8H3/t22-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36-,39+,40-,41-,42+,43+/m0/s1

InChI key： PDWURRSPPOGXPS-NRLBTUFGSA-N

SMILES： COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

Systematic name (3)：

[(20S)-11,29-ジオキソ-29-メトキシ-5α-オレアナ-12-エン-3β-イル]4-O-β-D-ガラクトピラノシル-β-D-グルコピラノシド
メチル (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,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]オキシ}オキサン-2-イル]オキシ}-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-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-2-カルボキシラート
methyl (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate

Other name (1)：

[(20S)-11,29-Dioxo-29-methoxy-5α-oleana-12-ene-3β-yl]4-O-β-D-galactopyranosyl-β-D-glucopyranoside

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