Chem
J-GLOBAL ID：200907089992150719   Nikkaji number：J1.953.435I

3β-[3-O-(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)-6-O-methyl-β-D-glucopyranosyloxy]oleana-12-ene-28-oic acid β-D-glucopyranosyl ester

3β-[3-O-(2-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)-6-O-メチル-β-D-グルコピラノシルオキシ]オレアナ-12-エン-28-酸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： C55H90O22
Molecular formula furigana： C55-H90-O22
Molecular weight： 1103.303
InChI： InChI=1S/C55H90O22/c1-24-33(58)37(62)40(65)45(70-24)76-44-39(64)35(60)28(22-57)72-48(44)75-43-36(61)29(23-69-9)73-47(42(43)67)74-32-13-14-52(6)30(51(32,4)5)12-15-54(8)31(52)11-10-25-26-20-50(2,3)16-18-55(26,19-17-53(25,54)7)49(68)77-46-41(66)38(63)34(59)27(21-56)71-46/h10,24,26-48,56-67H,11-23H2,1-9H3/t24-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45-,46-,47-,48-,52-,53+,54+,55-/m0/s1
InChI key： QNYIBGIXISQSEH-AHKFWHGNSA-N
SMILES： COC[C@H]1O[C@@H](O[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](O)[C@H](O)[C@H]3O)C2(C)C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O
Systematic name  (3)：
  • 3β-[3-O-(2-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)-6-O-メチル-β-D-グルコピラノシルオキシ]オレアナ-12-エン-28-酸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-(ヒドロキシメチル)オキサン-2-イル (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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}-3,5-ジヒドロキシ-6-(メトキシメチル)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)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(methoxymethyl)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-[3-O-(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)-6-O-methyl-β-D-glucopyranosyloxy]oleana-12-ene-28-oic acid β-D-glucopyranosyl ester
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