Chem
J-GLOBAL ID：200907047865320368   Nikkaji number：J2.774.359E

1-O,4-[(2-O,3-O-Diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)]-2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose

(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,38,39,40,41,42,43,44,45,46,47,48,49-トリデカキス(アセチルオキシ)-5,10,15,20,25,30,35-ヘプタキス(スルファニルメチル)-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-36-イル アセタート
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： C70H98O42S7
Molecular formula furigana： C70-H98-O42-S7
Molecular weight： 1835.930
InChI： InChI=1S/C70H98O42S7/c1-22(71)85-50-43-36(15-113)99-64(57(50)92-29(8)78)107-44-37(16-114)101-66(59(94-31(10)80)51(44)86-23(2)72)109-46-39(18-116)103-68(61(96-33(12)82)53(46)88-25(4)74)111-48-41(20-118)105-70(63(98-35(14)84)55(48)90-27(6)76)112-49-42(21-119)104-69(62(97-34(13)83)56(49)91-28(7)77)110-47-40(19-117)102-67(60(95-32(11)81)54(47)89-26(5)75)108-45-38(17-115)100-65(106-43)58(93-30(9)79)52(45)87-24(3)73/h36-70,113-119H,15-21H2,1-14H3/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m1/s1
InChI key： AJJIEHHTPDAEKM-DCBUKTJTSA-N
SMILES： CC(=O)O[C@H]1[C@@H]2O[C@H](CS)[C@@H](O[C@H]3O[C@H](CS)[C@@H](O[C@H]4O[C@H](CS)[C@@H](O[C@H]5O[C@H](CS)[C@@H](O[C@H]6O[C@H](CS)[C@@H](O[C@H]7O[C@H](CS)[C@@H](O[C@H]8O[C@H](CS)[C@@H](O2)[C@H](OC(=O)C)[C@H]8OC(=O)C)[C@H](OC(=O)C)[C@H]7OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)[C@H](OC(=O)C)[C@H]5OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 1-O,4-[(2-O,3-O-ジアセチル-6-メルカプト-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-ジアセチル-6-メルカプト-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-ジアセチル-6-メルカプト-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-ジアセチル-6-メルカプト-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-ジアセチル-6-メルカプト-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-ジアセチル-6-メルカプト-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-ジアセチル-6-メルカプト-4,6-ジデオキシ-α-D-グルコピラノース
  • (1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,38,39,40,41,42,43,44,45,46,47,48,49-トリデカキス(アセチルオキシ)-5,10,15,20,25,30,35-ヘプタキス(スルファニルメチル)-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-36-イル アセタート
  • (1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecakis(acetyloxy)-5,10,15,20,25,30,35-heptakis(sulfanylmethyl)-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-36-yl acetate
Other name (1)：
  • 1-O,4-[(2-O,3-O-Diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose-4,1-O-diyl)]-2-O,3-O-diacetyl-6-mercapto-4,6-dideoxy-α-D-glucopyranose
Thsaurus map：
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