Chem
J-GLOBAL ID：200907002084147462   Nikkaji number：J2.389.227H

2β,23,24-Trihydroxy-3β-[6-O-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-5α-oleana-12-ene-28-oic acid 2-O-(4-O-β-D-xylopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyl ester

2β,23,24-トリヒドロキシ-3β-[6-O-(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-5α-オレアナ-12-エン-28-酸2-O-(4-O-β-D-キシロピラノシル-α-L-ラムノピラノシル)-α-L-アラビノピラノシル
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： C64H104O33
Molecular formula furigana： C64-H104-O33
Molecular weight： 1401.503
InChI： InChI=1S/C64H104O33/c1-24-49(94-54-44(80)35(71)28(69)18-86-54)43(79)48(84)55(90-24)95-50-36(72)29(70)19-87-57(50)97-58(85)63-13-11-59(2,3)15-26(63)25-7-8-33-60(4)16-27(68)51(64(22-66,23-67)34(60)9-10-62(33,6)61(25,5)12-14-63)96-56-47(83)42(78)39(75)32(93-56)21-89-53-46(82)41(77)38(74)31(92-53)20-88-52-45(81)40(76)37(73)30(17-65)91-52/h7,24,26-57,65-84H,8-23H2,1-6H3/t24-,26-,27-,28+,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50+,51-,52+,53+,54-,55-,56-,57-,60+,61+,62+,63-/m0/s1
InChI key： OEMWOVJJVFHPBU-PHQMLGENSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 2β,23,24-トリヒドロキシ-3β-[6-O-(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-5α-オレアナ-12-エン-28-酸2-O-[4-O-(β-D-キシロピラノシル)-α-L-ラムノピラノシル]-α-L-アラビノピラノシル
  • 2β,23,24-トリヒドロキシ-3β-[6-O-(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-5α-オレアナ-12-エン-28-酸2-O-(4-O-β-D-キシロピラノシル-α-L-ラムノピラノシル)-α-L-アラビノピラノシル
  • (2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル (4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-11-ヒドロキシ-9,9-ビス(ヒドロキシメチル)-2,2,6a,6b,12a-ペンタメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,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]オキシ}メチル)オキサン-2-イル]オキシ}メチル)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)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-11-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-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 (2)：
  • 2β,23,24-Trihydroxy-3β-[6-O-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-5α-oleana-12-ene-28-oic acid 2-O-[4-O-(β-D-xylopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyl ester
  • 2β,23,24-Trihydroxy-3β-[6-O-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-5α-oleana-12-ene-28-oic acid 2-O-(4-O-β-D-xylopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyl ester
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