Chem
J-GLOBAL ID：200907000324934391   Nikkaji number：J2.534.561D

3β-(α-L-Arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid 2-O-α-L-rhamnopyranosyl-6-O-(3-O-acetyl-β-D-xylopyranosyl)-β-D-glucopyranosyl ester

3β-(α-L-アラビノピラノシルオキシ)-23-ヒドロキシオレアナ-12-エン-28-酸2-O-α-L-ラムノピラノシル-6-O-(3-O-アセチル-β-D-キシロピラノシル)-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： C54H86O22
Molecular formula furigana： C54-H86-O22
Molecular weight： 1087.260
InChI： InChI=1S/C54H86O22/c1-24-34(59)37(62)40(65)46(71-24)75-43-38(63)36(61)30(22-70-44-41(66)42(72-25(2)56)29(58)21-68-44)73-47(43)76-48(67)54-17-15-49(3,4)19-27(54)26-9-10-32-50(5)13-12-33(74-45-39(64)35(60)28(57)20-69-45)51(6,23-55)31(50)11-14-53(32,8)52(26,7)16-18-54/h9,24,27-47,55,57-66H,10-23H2,1-8H3/t24-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1
InChI key： LUWOFQAXJZOSCK-FALDPJCHSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](OC(=O)C)[C@H]3O)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-(α-L-アラビノピラノシルオキシ)-23-ヒドロキシオレアナ-12-エン-28-酸2-O-α-L-ラムノピラノシル-6-O-(3-O-アセチル-β-D-キシロピラノシル)-β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-6-({[(2S,3R,4S,5R)-4-(アセチルオキシ)-3,5-ジヒドロキシオキサン-2-イル]オキシ}メチル)-4,5-ジヒドロキシ-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 (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-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)-6-({[(2S,3R,4S,5R)-4-(acetyloxy)-3,5-dihydroxyoxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-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)：
  • 3β-(α-L-Arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid 2-O-α-L-rhamnopyranosyl-6-O-(3-O-acetyl-β-D-xylopyranosyl)-β-D-glucopyranosyl ester
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