Chem
J-GLOBAL ID：200907043536571974   Nikkaji number：J2.528.318J

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-[4-oxo-4-(3β-cholesteryloxy)butyrylamino]-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-[4-oxo-4-(3β-cholesteryloxy)butyrylamino]-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-[4-オキソ-4-(3β-コレステリルオキシ)ブチリルアミノ]-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-[4-オキソ-4-(3β-コレステリルオキシ)ブチリルアミノ]-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： C123H206N2O39
Molecular formula furigana： C123-H206-N2-O39
Molecular weight： 2336.976
InChI： InChI=1S/C123H206N2O39/c1-65(2)32-30-34-67(5)75-40-42-77-73-38-36-69-56-71(48-52-120(69,7)79(73)50-54-122(75,77)9)149-90(128)46-44-88(126)124-58-81-92-99(135-16)107(143-24)114(152-81)161-95-84(61-131-12)156-118(111(147-28)102(95)138-19)164-98-87(64-134-15)157-119(112(148-29)105(98)141-22)163-97-86(63-133-14)154-116(109(145-26)104(97)140-21)159-93-82(59-125-89(127)45-47-91(129)150-72-49-53-121(8)70(57-72)37-39-74-78-43-41-76(68(6)35-31-33-66(3)4)123(78,10)55-51-80(74)121)151-113(106(142-23)100(93)136-17)160-94-83(60-130-11)155-117(110(146-27)101(94)137-18)162-96-85(62-132-13)153-115(158-92)108(144-25)103(96)139-20/h36-37,65-68,71-87,92-119H,30-35,38-64H2,1-29H3,(H,124,126)(H,125,127)
InChI key： XIJXXUZUXBDCAK-UHFFFAOYSA-N
SMILES： COCC1OC2OC3C(COC)OC(OC4C(CNC(=O)CCC(=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)CCC(=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-[4-オキソ-4-(3β-コレステリルオキシ)ブチリルアミノ]-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-[4-オキソ-4-(3β-コレステリルオキシ)ブチリルアミノ]-4,6-ジデオキシ-α-D-グルコピラノース
  • 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 3-[({20-[(4-{[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}-4-オキソブタンアミド)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)カルバモイル]プロパノアート
  • 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 3-[({20-[(4-{[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}-4-oxobutanamido)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)carbamoyl]propanoate
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-[4-oxo-4-(3β-cholesteryloxy)butyrylamino]-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-[4-oxo-4-(3β-cholesteryloxy)butyrylamino]-4,6-dideoxy-α-D-glucopyranose
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