Chem
J-GLOBAL ID:200907002176036039   Nikkaji number:J2.544.998C

2-Mercapto-3-pyrrolizino-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)]-2,3,4-trideoxy-α-D-altropyranose

2-メルカプト-3-ピロリジノ-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)]-2,3,4-トリデオキシ-α-D-アルトロピラノース
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: C46H77NO33S
Molecular formula furigana: C46-H77-N-O33-S
Molecular weight: 1204.160
InChI: InChI=1S/C46H77NO33S/c48-5-12-32-19(47-3-1-2-4-47)39(81)46(73-12)80-38-18(11-54)72-45(31(66)25(38)60)79-37-17(10-53)71-44(30(65)24(37)59)78-36-16(9-52)70-43(29(64)23(36)58)77-35-15(8-51)69-42(28(63)22(35)57)76-34-14(7-50)68-41(27(62)21(34)56)75-33-13(6-49)67-40(74-32)26(61)20(33)55/h12-46,48-66,81H,1-11H2/t12-,13-,14-,15-,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-,43-,44-,45-,46-/m1/s1
InChI key: IKCKZPFXTHDDPK-QESZWWQBSA-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](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]1[C@H](O)[C@H]2O)[C@@H](S)[C@@H]3N1CCCC1
Systematic name  (3):
  • 2-メルカプト-3-ピロリジノ-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)]-2,3,4-トリデオキシ-α-D-アルトロピラノース
  • (1S,3R,5R,6S,8S,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,49S)-5,10,15,20,25,30,35-ヘプタキス(ヒドロキシメチル)-48-(ピロリジン-1-イル)-49-スルファニル-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-36,37,38,39,40,41,42,43,44,45,46,47-ドデカオール
  • (1S,3R,5R,6S,8S,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,49S)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-48-(pyrrolidin-1-yl)-49-sulfanyl-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47-dodecol
Other name (1):
  • 2-Mercapto-3-pyrrolizino-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)]-2,3,4-trideoxy-α-D-altropyranose
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