Chem
J-GLOBAL ID：200907026057734344   Nikkaji number：J2.638.956I

3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]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

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]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： C70H114O34
Molecular formula furigana： C70-H114-O34
Molecular weight： 1499.648
InChI： InChI=1S/C70H114O34/c1-26-38(75)54(101-58-47(84)40(77)30(73)23-91-58)51(88)62(95-26)103-56-41(78)31(74)24-92-63(56)99-37-13-14-67(7)35(66(37,5)6)12-15-69(9)36(67)11-10-28-29-20-65(3,4)16-18-70(29,19-17-68(28,69)8)64(90)104-60-49(86)45(82)43(80)34(98-60)25-93-57-50(87)46(83)53(33(22-72)97-57)100-61-52(89)55(39(76)27(2)94-61)102-59-48(85)44(81)42(79)32(21-71)96-59/h10,26-27,29-63,71-89H,11-25H2,1-9H3/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-,67-,68+,69+,70-/m0/s1
InChI key： BNFROHVIUCJYRI-GLHNUNBRSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@H](O)[C@H](O[C@@H]2OC[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]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]-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,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}-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)-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,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}-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 (2)：
  • 3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]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
  • 3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]-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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