Chem
J-GLOBAL ID:201707012708989569   Nikkaji number:J3.575.169F

2-O-(2-O,4-O,6-O-Triacetyl-β-D-galactopyranosyl)-3-O-[3-O-(2-O,3-O,4-O-tribenzoyl-6-O-methyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-α-D-galactopyranosyl]-4-O,6-O-diacetyl-1-deoxy-1-(isopropylthio)-β-D-mannopyranose

2-O-(2-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシル)-3-O-[3-O-(2-O,3-O,4-O-トリベンゾイル-6-O-メチル-β-D-グルコピラヌロノシル)-4-O,6-O-ジアセチル-α-D-ガラクトピラノシル]-4-O,6-O-ジアセチル-1-デオキシ-1-(イソプロピルチオ)-β-D-マンノピラノース
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: C63H74O31S
Molecular formula furigana: C63-H74-O31-S
Molecular weight: 1359.310
InChI: InChI=1S/C63H74O31S/c1-29(2)95-63-55(94-61-49(84-36(9)70)43(71)45(81-33(6)67)40(86-61)26-78-30(3)64)50(47(83-35(8)69)42(87-63)28-80-32(5)66)92-60-44(72)48(46(82-34(7)68)41(85-60)27-79-31(4)65)91-62-54(90-58(75)39-24-18-13-19-25-39)52(89-57(74)38-22-16-12-17-23-38)51(53(93-62)59(76)77-10)88-56(73)37-20-14-11-15-21-37/h11-25,29,40-55,60-63,71-72H,26-28H2,1-10H3/t40-,41-,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54-,55+,60-,61+,62-,63+/m1/s1
InChI key: IDQNHFLMBGEVKL-OKCJIQDYSA-N
SMILES: COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3[C@H](OC(=O)C)[C@@H](COC(=O)C)O[C@@H](SC(C)C)[C@H]3O[C@@H]3O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](O)[C@H]3OC(=O)C)O[C@H](COC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
Systematic name  (3):
  • 2-O-(2-O,4-O,6-O-トリアセチル-β-D-ガラクトピラノシル)-3-O-[3-O-(2-O,3-O,4-O-トリベンゾイル-6-O-メチル-β-D-グルコピラヌロノシル)-4-O,6-O-ジアセチル-α-D-ガラクトピラノシル]-4-O,6-O-ジアセチル-1-デオキシ-1-(イソプロピルチオ)-β-D-マンノピラノース
  • メチル (2S,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-3-(アセチルオキシ)-6-{[(2R,3R,4S,5S,6S)-3-(アセチルオキシ)-2-[(アセチルオキシ)メチル]-5-{[(2S,3R,4S,5R,6R)-3,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-4-ヒドロキシオキサン-2-イル]オキシ}-6-(プロパン-2-イルスルファニル)オキサン-4-イル]オキシ}-2-[(アセチルオキシ)メチル]-5-ヒドロキシオキサン-4-イル]オキシ}-3,4,5-トリス(ベンゾイルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6R)-3-(acetyloxy)-6-{[(2R,3R,4S,5S,6S)-3-(acetyloxy)-2-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5R,6R)-3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-6-(propan-2-ylsulfanyl)oxan-4-yl]oxy}-2-[(acetyloxy)methyl]-5-hydroxyoxan-4-yl]oxy}-3,4,5-tris(benzoyloxy)oxane-2-carboxylate
Other name (1):
  • 2-O-(2-O,4-O,6-O-Triacetyl-β-D-galactopyranosyl)-3-O-[3-O-(2-O,3-O,4-O-tribenzoyl-6-O-methyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-α-D-galactopyranosyl]-4-O,6-O-diacetyl-1-deoxy-1-(isopropylthio)-β-D-mannopyranose
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