Chem
J-GLOBAL ID:200907016505952310   Nikkaji number:J755.140A

3β-[[2-O-[2-O,3-O,4-O-Tris(sodiooxysulfonyl)-6-deoxy-α-L-mannopyranosyl]-3-O,4-O-bis(sodiooxysulfonyl)-α-L-arabinopyranosyl]oxy]-24-[(sodiooxysulfonyl)oxy]olean-12-en-28-oic acid 28-methyl ester

3β-[[2-O-[2-O,3-O,4-O-トリス(ソジオオキシスルホニル)-6-デオキシ-α-L-マンノピラノシル]-3-O,4-O-ビス(ソジオオキシスルホニル)-α-L-アラビノピラノシル]オキシ]-24-[(ソジオオキシスルホニル)オキシ]オレアナ-12-エン-28-酸28-メチル
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: C42H62Na6O30S6
Molecular formula furigana: C42-H62-NA6-O30-S6
Molecular weight: 1377.230
InChI: InChI=1S/C42H68O30S6.6Na/c1-22-29(69-75(50,51)52)31(71-77(56,57)58)33(72-78(59,60)61)35(65-22)67-32-30(70-76(53,54)55)25(68-74(47,48)49)20-63-34(32)66-28-12-13-38(4)26(39(28,5)21-64-73(44,45)46)11-14-41(7)27(38)10-9-23-24-19-37(2,3)15-17-42(24,36(43)62-8)18-16-40(23,41)6;;;;;;/h9,22,24-35H,10-21H2,1-8H3,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;;;/q;6*+1/p-6/t22-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,38-,39+,40+,41+,42-;;;;;;/m0....../s1
InChI key: SDQOCRFDHLIHKY-SNYFPTQCSA-H
SMILES: COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](OS(=O)(=O)O[Na])[C@H](OS(=O)(=O)O[Na])[C@H]5O[C@@H]5O[C@@H](C)[C@H](OS(=O)(=O)O[Na])[C@@H](OS(=O)(=O)O[Na])[C@H]5OS(=O)(=O)O[Na])[C@](C)(COS(=O)(=O)O[Na])[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3):
  • 3β-[[2-O-[2-O,3-O,4-O-トリス(ソジオオキシスルホニル)-6-デオキシ-α-L-マンノピラノシル]-3-O,4-O-ビス(ソジオオキシスルホニル)-α-L-アラビノピラノシル]オキシ]-24-[(ソジオオキシスルホニル)オキシ]オレアナ-12-エン-28-酸28-メチル
  • メチル (4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2S,3R,4R,5S)-3-{[(2S,3R,4R,5S,6S)-6-メチル-3,4,5-トリ{[(ソジオオキシ)スルホニル]オキシ}オキサン-2-イル]オキシ}-4,5-ジ{[(ソジオオキシ)スルホニル]オキシ}オキサン-2-イル]オキシ}-9-({[(ソジオオキシ)スルホニル]オキシ}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
  • methyl (4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4R,5S)-3-{[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tri{[(sodiooxy)sulfonyl]oxy}oxan-2-yl]oxy}-4,5-di{[(sodiooxy)sulfonyl]oxy}oxan-2-yl]oxy}-9-({[(sodiooxy)sulfonyl]oxy}methyl)-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-[2-O,3-O,4-O-Tris(sodiooxysulfonyl)-6-deoxy-α-L-mannopyranosyl]-3-O,4-O-bis(sodiooxysulfonyl)-α-L-arabinopyranosyl]oxy]-24-[(sodiooxysulfonyl)oxy]olean-12-en-28-oic acid 28-methyl ester
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