Chem
J-GLOBAL ID:200907051615547100   Nikkaji number:J1.241.930I

2-O,6-O-Bis(2-carboxyethyl)-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-deoxy-α-D-glucopyranose

2-O,6-O-ビス(2-カルボキシエチル)-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-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: C54H88O44
Molecular formula furigana: C54-H88-O44
Molecular weight: 1441.254
InChI: InChI=1S/C54H88O44/c55-5-13-38-23(66)30(73)47(83-13)91-39-14(6-56)84-49(31(74)24(39)67)93-41-16(8-58)86-51(33(76)26(41)69)95-43-18(10-60)88-53(35(78)28(43)71)97-45-20(12-81-3-1-21(62)63)90-54(46(37(45)80)82-4-2-22(64)65)98-44-19(11-61)89-52(36(79)29(44)72)96-42-17(9-59)87-50(34(77)27(42)70)94-40-15(7-57)85-48(92-38)32(75)25(40)68/h13-20,23-61,66-80H,1-12H2,(H,62,63)(H,64,65)/t13-,14-,15-,16-,17-,18-,19-,20-,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-,49-,50-,51-,52-,53-,54-/m1/s1
InChI key: SRFZVJNRCFYXPT-KKLLIDFXSA-N
SMILES: OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](OCCC(=O)O)[C@H](O[C@@H]3COCCC(=O)O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O
Systematic name  (3):
  • 2-O,6-O-ビス(2-カルボキシエチル)-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-デオキシ-α-D-グルコピラノース
  • 3-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41S,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-40-[(2-カルボキシエトキシ)メチル]-41,43,44,45,46,47,48,49,50,51,52,53,54,55,56-ペンタデカヒドロキシ-5,10,15,20,25,30,35-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-42-イル]オキシ}プロパン酸
  • 3-{[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41S,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-40-[(2-carboxyethoxy)methyl]-41,43,44,45,46,47,48,49,50,51,52,53,54,55,56-pentadecahydroxy-5,10,15,20,25,30,35-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-42-yl]oxy}propanoic acid
Other name (1):
  • 2-O,6-O-Bis(2-carboxyethyl)-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-deoxy-α-D-glucopyranose
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