Chem
J-GLOBAL ID：200907067894537466   Nikkaji number：J458.737E

22β,24-Dihydroxy-3β-[[2-O-[2-O-(α-L-rhamnopyranosyl)-β-D-galactopyranosyl]-6-O-methyl-β-D-glucurono pyranosyl]oxy]olean-12-en-11-one

22β,24-ジヒドロキシ-3β-[[2-O-[2-O-(α-L-ラムノピラノシル)-β-D-ガラクトピラノシル]-6-O-メチル-β-D-グルクロノピラノシル]オキシ]オレアナ-12-エン-11-オン
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： C49H78O19
Molecular formula furigana： C49-H78-O19
Molecular weight： 971.144
InChI： InChI=1S/C49H78O19/c1-21-29(54)31(56)35(60)41(63-21)67-37-32(57)30(55)25(19-50)64-42(37)68-38-34(59)33(58)36(40(61)62-9)66-43(38)65-28-11-12-46(5)26(47(28,6)20-51)10-13-49(8)39(46)24(52)16-22-23-17-44(2,3)18-27(53)45(23,4)14-15-48(22,49)7/h16,21,23,25-39,41-43,50-51,53-60H,10-15,17-20H2,1-9H3/t21-,23-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,39+,41-,42-,43+,45+,46-,47+,48+,49+/m0/s1
InChI key： ATGMEIDXZCEOGS-FDBOCOFASA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C(=O)C=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 22β,24-ジヒドロキシ-3β-[[2-O-[2-O-(α-L-ラムノピラノシル)-β-D-ガラクトピラノシル]-6-O-メチル-β-D-グルクロノピラノシル]オキシ]オレアナ-12-エン-11-オン
  • メチル (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bS)-9-ヒドロキシ-4-(ヒドロキシメチル)-4,6a,6b,8a,11,11,14b-ヘプタメチル-14-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-5-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシオキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bS)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate
Other name (1)：
  • 22β,24-Dihydroxy-3β-[[2-O-[2-O-(α-L-rhamnopyranosyl)-β-D-galactopyranosyl]-6-O-methyl-β-D-glucurono pyranosyl]oxy]olean-12-en-11-one
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