Chem
J-GLOBAL ID:201107064327162450   Nikkaji number:J2.967.092G

3β-[[2-O-(α-L-Rhamnopyranosyl)-3-O-(2-O,3-O-diacetyl-α-L-arabinofuranosyl)-β-L-arabinopyranosyl]oxy]-23-hydroxyoleana-12-ene-28-oic acid

3β-[[2-O-(α-L-ラムノピラノシル)-3-O-(2-O,3-O-ジアセチル-α-L-アラビノフラノシル)-β-L-アラビノピラノシル]オキシ]-23-ヒドロキシオレアナ-12-エン-28-酸
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: C50H78O18
Molecular formula furigana: C50-H78-O18
Molecular weight: 967.156
InChI: InChI=1S/C50H78O18/c1-24-34(56)35(57)36(58)41(62-24)68-39-37(67-43-40(64-26(3)54)38(63-25(2)53)30(21-51)65-43)29(55)22-61-42(39)66-33-13-14-46(6)31(47(33,7)23-52)12-15-49(9)32(46)11-10-27-28-20-45(4,5)16-18-50(28,44(59)60)19-17-48(27,49)8/h10,24,28-43,51-52,55-58H,11-23H2,1-9H3,(H,59,60)/t24-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43-,46-,47-,48+,49+,50-/m0/s1
InChI key: NQZJUEANUWEVDA-QHCSWDGBSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]54C)C(=O)O)[C@]3(C)CO)OC[C@H](O)[C@@H]2O[C@@H]2O[C@@H](CO)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-[[2-O-(α-L-ラムノピラノシル)-3-O-(2-O,3-O-ジアセチル-α-L-アラビノフラノシル)-β-L-アラビノピラノシル]オキシ]-23-ヒドロキシオレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S)-4-{[(2S,3R,4S,5S)-3,4-ビス(アセチルオキシ)-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-5-ヒドロキシ-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}-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-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-カルボン酸
  • (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5S)-4-{[(2S,3R,4S,5S)-3,4-bis(acetyloxy)-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (1):
  • 3β-[[2-O-(α-L-Rhamnopyranosyl)-3-O-(2-O,3-O-diacetyl-α-L-arabinofuranosyl)-β-L-arabinopyranosyl]oxy]-23-hydroxyoleana-12-ene-28-oic acid
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