Chem
J-GLOBAL ID：200907052271251980   Nikkaji number：J2.528.317A

1-O,4-[(2-O,3-O,6-O-Trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)[2-O,3-O-dimethyl-6-(3β-cholesteryloxycarbonyloxyacetylamino)-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl](2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-2-O,3-O-dimethyl-6-(3β-cholesteryloxycarbonyloxyacetylamino)-4,6-dideoxy-α-D-glucopyranose

1-O,4-[(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)[2-O,3-O-ジメチル-6-(3β-コレステリルオキシカルボニルオキシアセチルアミノ)-4,6-ジデオキシ-α-D-グルコピラノース-4,1-O-ジイル](2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-2-O,3-O-ジメチル-6-(3β-コレステリルオキシカルボニルオキシアセチルアミノ)-4,6-ジデオキシ-α-D-グルコピラノース
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： C121H202N2O41
Molecular formula furigana： C121-H202-N2-O41
Molecular weight： 2340.920
InChI： InChI=1S/C121H202N2O41/c1-63(2)32-30-34-65(5)73-40-42-75-71-38-36-67-52-69(44-48-118(67,7)77(71)46-50-120(73,75)9)149-116(126)147-61-86(124)122-54-79-88-95(133-16)103(141-24)110(152-79)161-91-82(57-129-12)156-114(107(145-28)98(91)136-19)164-94-85(60-132-15)157-115(108(146-29)101(94)139-22)163-93-84(59-131-14)154-112(105(143-26)100(93)138-21)159-89-80(55-123-87(125)62-148-117(127)150-70-45-49-119(8)68(53-70)37-39-72-76-43-41-74(66(6)35-31-33-64(3)4)121(76,10)51-47-78(72)119)151-109(102(140-23)96(89)134-17)160-90-81(56-128-11)155-113(106(144-27)97(90)135-18)162-92-83(58-130-13)153-111(158-88)104(142-25)99(92)137-20/h36-37,63-66,69-85,88-115H,30-35,38-62H2,1-29H3,(H,122,124)(H,123,125)
InChI key： BXAOHBCWWJAMPD-UHFFFAOYSA-N
SMILES： COCC1OC2OC3C(COC)OC(OC4C(CNC(=O)COC(=O)OC5CCC6(C)C7CCC8(C)C(CCC8C7CC=C6C5)C(C)CCCC(C)C)OC(OC5C(COC)OC(OC6C(COC)OC(OC7C(COC)OC(OC8C(CNC(=O)COC(=O)OC9CCC%10(C)C%11CCC%12(C)C(CCC%12C%11CC=C%10C9)C(C)CCCC(C)C)OC(OC1C(OC)C2OC)C(OC)C8OC)C(OC)C7OC)C(OC)C6OC)C(OC)C5OC)C(OC)C4OC)C(OC)C3OC
Systematic name  (3)：
  • 1-O,4-[(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)[2-O,3-O-ジメチル-6-(3β-コレステリルオキシカルボニルオキシアセチルアミノ)-4,6-ジデオキシ-α-D-グルコピラノース-4,1-O-ジイル](2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-2-O,3-O-ジメチル-6-(3β-コレステリルオキシカルボニルオキシアセチルアミノ)-4,6-ジデオキシ-α-D-グルコピラノース
  • 2-[({[9a,11a-ジメチル-1-(6-メチルヘプタン-2-イル)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}カルボニル)オキシ]-N-{[20-({2-[({[9a,11a-ジメチル-1-(6-メチルヘプタン-2-イル)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}カルボニル)オキシ]アセトアミド}メチル)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカメトキシ-10,15,25,30,35-ペンタキス(メトキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-5-イル]メチル}アセトアミド
  • 2-[({[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)oxy]-N-{[20-({2-[({[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)oxy]acetamido}methyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,25,30,35-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl}acetamide
Other name (1)：
  • 1-O,4-[(2-O,3-O,6-O-Trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)[2-O,3-O-dimethyl-6-(3β-cholesteryloxycarbonyloxyacetylamino)-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl](2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-2-O,3-O-dimethyl-6-(3β-cholesteryloxycarbonyloxyacetylamino)-4,6-dideoxy-α-D-glucopyranose
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