Chem
J-GLOBAL ID：201007011105806470   Nikkaji number：J2.781.388G

3β-[2-O-(3-O-β-D-Ribopyranosyl-4-O-β-D-glucopyranosyl-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

3β-[2-O-(3-O-β-D-リボピラノシル-4-O-β-D-グルコピラノシル-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
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： C76H124O39
Molecular formula furigana： C76-H124-O39
Molecular weight： 1661.789
InChI： InChI=1S/C76H124O39/c1-27-40(82)59(112-65-52(94)47(89)44(86)34(22-78)106-65)55(97)67(103-27)111-58-35(23-79)107-62(54(96)49(58)91)102-26-36-45(87)48(90)53(95)66(108-36)115-70(99)76-18-16-71(3,4)20-30(76)29-10-11-38-73(7)14-13-39(72(5,6)37(73)12-15-75(38,9)74(29,8)17-19-76)109-69-61(42(84)32(81)25-101-69)114-68-56(98)60(113-63-50(92)41(83)31(80)24-100-63)57(28(2)104-68)110-64-51(93)46(88)43(85)33(21-77)105-64/h10,27-28,30-69,77-98H,11-26H2,1-9H3/t27-,28-,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-,64-,65-,66-,67-,68-,69-,73-,74+,75+,76-/m0/s1
InChI key： PLHKUYRJGOVYTN-IHRGFYGVSA-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]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O[C@@H]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O)C(C)(C)[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  (3)：
  • 3β-[2-O-(3-O-β-D-リボピラノシル-4-O-β-D-グルコピラノシル-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)-4,5-ジヒドロキシ-3-{[(2S,3R,4S,5S,6S)-3-ヒドロキシ-6-メチル-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}-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}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)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}oxan-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 (1)：
  • 3β-[2-O-(3-O-β-D-Ribopyranosyl-4-O-β-D-glucopyranosyl-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
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM