Chem
J-GLOBAL ID:200907012288310937
Nikkaji number:J2.648.237B
1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-6-O-[3-(methoxycarbonyl)benzoyl]-4-deoxy-α-D-glucopyranose
1-O,4-[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-6-O-[3-(メトキシカルボニル)ベンゾイル]-4-デオキシ-α-D-グルコピラノース
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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:
C51 H76 O38
Molecular formula furigana:
C51-H76-O38
Molecular weight:
1297.131
InChI:
InChI=1S/C51H76O38/c1-74-43(72)13-3-2-4-14(5-13)44(73)75-12-21-42-28(64)35(71)51(82-21)88-41-20(11-57)80-49(33(69)26(41)62)86-39-18(9-55)78-47(31(67)24(39)60)84-37-16(7-53)76-45(29(65)22(37)58)83-36-15(6-52)77-46(30(66)23(36)59)85-38-17(8-54)79-48(32(68)25(38)61)87-40-19(10-56)81-50(89-42)34(70)27(40)63/h2-5,15-42,45-71H,6-12H2,1H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29?,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-,47-,48-,49-,50-,51-/m1/s1
InChI key:
TXJFYUUJOVJMRV-DWLGEYOHSA-N
SMILES:
COC(=O)c1cccc(c1)C(=O)OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Systematic name (3):
1-O,4-[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-6-O-[3-(メトキシカルボニル)ベンゾイル]-4-デオキシ-α-D-グルコピラノース
1-メチル 3-[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-10,15,20,25,30,35-ヘキサキス(ヒドロキシメチル)-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 ベンゼン-1,3-ジカルボキシラート
1-methyl 3-[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-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 benzene-1,3-dicarboxylate
Other name (1):
1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-6-O-[3-(methoxycarbonyl)benzoyl]-4-deoxy-α-D-glucopyranose
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