Chem
J-GLOBAL ID：200907035230167115   Nikkaji number：J2.638.958E

3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]-23-hydroxyoleana-12-ene-28-oic acid 6-O-[4-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester

3β-[2-O-(3-O-β-D-リボピラノシル-α-L-ラムノピラノシル)-α-L-アラビノピラノシルオキシ]-23-ヒドロキシオレアナ-12-エン-28-酸6-O-[4-O-(3-O-β-D-グルコピラノシル-α-L-ラムノピラノシル)-β-D-グルコピラノシル]-β-D-グルコピラノシル
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： C70H114O35
Molecular formula furigana： C70-H114-O35
Molecular weight： 1515.647
InChI： InChI=1S/C70H114O35/c1-26-38(76)54(102-58-47(85)40(78)30(74)22-92-58)51(89)62(96-26)104-56-41(79)31(75)23-93-63(56)100-37-12-13-66(5)35(67(37,6)25-73)11-14-69(8)36(66)10-9-28-29-19-65(3,4)15-17-70(29,18-16-68(28,69)7)64(91)105-60-49(87)45(83)43(81)34(99-60)24-94-57-50(88)46(84)53(33(21-72)98-57)101-61-52(90)55(39(77)27(2)95-61)103-59-48(86)44(82)42(80)32(20-71)97-59/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,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+,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1
InChI key： OBMSBRMGHXESCE-HNEFRTHTSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Systematic name  (4)：
  • 3β-[2-O-(3-O-β-D-リボピラノシル-α-L-ラムノピラノシル)-α-L-アラビノピラノシルオキシ]-23-ヒドロキシオレアナ-12-エン-28-酸6-O-[4-O-(3-O-β-D-グルコピラノシル-α-L-ラムノピラノシル)-β-D-グルコピラノシル]-β-D-グルコピラノシル
  • 3β-[2-O-(3-O-β-D-リボピラノシル-α-L-ラムノピラノシル)-α-L-アラビノピラノシルオキシ]-23-ヒドロキシ-5α-オレアナ-12-エン-28-酸6-O-[4-O-(3-O-β-D-グルコピラノシル-α-L-ラムノピラノシル)-β-D-グルコピラノシル]-β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6S)-3,5-ジヒドロキシ-6-メチル-4-{[(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]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-3,5-ジヒドロキシ-6-メチル-4-{[(2S,3R,4R,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]オキシ}-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-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-({[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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)：
  • 3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]-23-hydroxyoleana-12-ene-28-oic acid 6-O-[4-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester
  • 3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]-23-hydroxy-5α-oleana-12-ene-28-oic acid 6-O-[4-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester
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