Chem
J-GLOBAL ID：200907054802099102   Nikkaji number：J1.650.270G

3β-(6-Deoxy-β-D-glucopyranosyloxy)-27-noroleana-13-ene-28-oic acid 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester

3β-(6-デオキシ-β-D-グルコピラノシルオキシ)-27-ノルオレアナ-13-エン-28-酸6-O-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： C47H76O17
Molecular formula furigana： C47-H76-O17
Molecular weight： 913.108
InChI： InChI=1S/C47H76O17/c1-21-30(49)33(52)37(56)40(60-21)63-29-12-14-46(7)27(44(29,4)5)11-13-45(6)23-10-15-47(17-16-43(2,3)18-24(47)22(23)8-9-28(45)46)42(58)64-41-38(57)35(54)32(51)26(62-41)20-59-39-36(55)34(53)31(50)25(19-48)61-39/h21,24-41,48-57H,8-20H2,1-7H3/t21-,24+,25-,26-,27+,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,45+,46+,47-/m1/s1
InChI key： LVFLAMVQRBKRAI-WIIRBVINSA-N
SMILES： C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C4CC[C@]4(CCC(C)(C)C[C@@H]34)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[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]1O
Systematic name  (4)：
  • 3β-(6-デオキシ-β-D-グルコピラノシルオキシ)-27-ノルオレアナ-13-エン-28-酸6-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル
  • 3β-(6-デオキシ-β-D-グルコピラノシルオキシ)-27-ノルオレアナ-13-エン-28-酸6-O-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)-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 (4aS,6bR,8aR,10S,12aR,12bR,14bS)-2,2,6b,9,9,12a-ヘキサメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,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 (4aS,6bR,8aR,10S,12aR,12bR,14bS)-2,2,6b,9,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicene-4a-carboxylate
Other name (2)：
  • 3β-(6-Deoxy-β-D-glucopyranosyloxy)-27-noroleana-13-ene-28-oic acid 6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl ester
  • 3β-(6-Deoxy-β-D-glucopyranosyloxy)-27-noroleana-13-ene-28-oic acid 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester
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