Chem
J-GLOBAL ID：200907005826766788   Nikkaji number：J2.098.088E

3β-[2-O-[3-O-(4-O-β-D-Glucopyranosyl-β-D-ribopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyloxy]-21α-hydroxyoleana-12-ene-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester

3β-[2-O-[3-O-(4-O-β-D-グルコピラノシル-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]-21α-ヒドロキシオレアナ-12-エン-28-酸6-O-(4-O-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/c1-25-38(75)44(81)49(86)59(95-25)102-54-31(21-72)98-57(52(89)47(54)84)93-23-32-42(79)46(83)51(88)61(100-32)105-64(91)70-17-16-68(8)27(28(70)18-65(3,4)36(74)19-70)10-11-35-67(7)14-13-37(66(5,6)34(67)12-15-69(35,68)9)101-63-56(40(77)29(73)22-92-63)104-62-53(90)55(39(76)26(2)96-62)103-58-48(85)43(80)33(24-94-58)99-60-50(87)45(82)41(78)30(20-71)97-60/h10,25-26,28-63,71-90H,11-24H2,1-9H3/t25-,26-,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+,58-,59-,60-,61-,62-,63-,67-,68+,69+,70+/m0/s1
InChI key： DWHFVIPZZWJLNE-RVLNGABQSA-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@@]45CC[C@]6(C)C(=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O[C@@H]%10OC[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H](O)[C@H]%10O)[C@H]9O)C(C)(C)[C@@H]8CC[C@@]67C)[C@@H]4CC(C)(C)[C@H](O)C5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[2-O-[3-O-(4-O-β-D-グルコピラノシル-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]-21α-ヒドロキシオレアナ-12-エン-28-酸6-O-(4-O-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)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(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}メチル)-3,4,5-トリヒドロキシオキサン-2-イル (3R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-3,4-ジヒドロキシ-5-{[(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}-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル]オキシ}-3-ヒドロキシ-2,2,6a,6b,9,9,12a-ヘプタメチル-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)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (3R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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-[2-O-[3-O-(4-O-β-D-Glucopyranosyl-β-D-ribopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyloxy]-21α-hydroxyoleana-12-ene-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester
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