Chem
J-GLOBAL ID:201107004824145273   Nikkaji number:J2.967.093E

3β-[[2-O-(α-L-Rhamnopyranosyl)-3-O-(3-O-acetyl-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-(3-O-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: C48H76O17
Molecular formula furigana: C48-H76-O17
Molecular weight: 925.119
InChI: InChI=1S/C48H76O17/c1-23-32(53)33(54)34(55)39(60-23)65-38-36(64-40-35(56)37(61-24(2)51)28(20-49)62-40)27(52)21-59-41(38)63-31-12-13-44(5)29(45(31,6)22-50)11-14-47(8)30(44)10-9-25-26-19-43(3,4)15-17-48(26,42(57)58)18-16-46(25,47)7/h9,23,26-41,49-50,52-56H,10-22H2,1-8H3,(H,57,58)/t23-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,41+,44-,45-,46+,47+,48-/m0/s1
InChI key: DNKHPELVBNJAOP-HKNYIALVSA-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]2O)[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-(3-O-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,4R,5S)-4-(アセチルオキシ)-3-ヒドロキシ-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,4R,5S)-4-(acetyloxy)-3-hydroxy-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-(3-O-acetyl-α-L-arabinofuranosyl)-β-L-arabinopyranosyl]oxy]-23-hydroxyoleana-12-ene-28-oic acid
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