Chem
J-GLOBAL ID:200907077316562089   Nikkaji number:J1.582.326G

1-O,4-[[6-[(4-Ethynylbenzoyl)amino]-4,6-dideoxy-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)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4-deoxy-α-D-glucopyranose

1-O,4-[[6-[(4-エチニルベンゾイル)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](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)]-4-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: C57H85NO40
Molecular formula furigana: C57-H85-N-O40
Molecular weight: 1424.274
InChI: InChI=1S/C57H85NO40/c1-2-15-3-5-16(6-4-15)49(82)58-7-17-41-25(66)33(74)50(83-17)92-42-18(8-59)85-52(35(76)27(42)68)94-44-20(10-61)87-54(37(78)29(44)70)96-46-22(12-63)89-56(39(80)31(46)72)98-48-24(14-65)90-57(40(81)32(48)73)97-47-23(13-64)88-55(38(79)30(47)71)95-45-21(11-62)86-53(36(77)28(45)69)93-43-19(9-60)84-51(91-41)34(75)26(43)67/h1,3-6,17-48,50-57,59-81H,7-14H2,(H,58,82)/t17-,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-,43-,44-,45-,46-,47-,48-,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1
InChI key: SLCYLGWHXJNJHA-SRQMLJPDSA-N
SMILES: 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](CNC(=O)c7ccc(cc7)C#C)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]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Systematic name  (4):
  • 6-[(4-エチニルベンゾイル)アミノ]-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)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4,6-ジデオキシ-α-D-グルコピラノース
  • 1-O,4-[[6-[(4-エチニルベンゾイル)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](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)]-4-デオキシ-α-D-グルコピラノース
  • 4-エチニル-N-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-ヘキサデカヒドロキシ-10,15,20,25,30,35,40-ヘプタキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-ヘキサデカオキサノナシクロ[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]ヘキサペンタコンタン-5-イル]メチル}ベンズアミド
  • 4-ethynyl-N-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-10,15,20,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl}benzamide
Other name (2):
  • 6-[(4-Ethynylbenzoyl)amino]-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)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose
  • 1-O,4-[[6-[(4-Ethynylbenzoyl)amino]-4,6-dideoxy-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)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4-deoxy-α-D-glucopyranose
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