物質
J-GLOBAL ID：200907062854841306   日化辞番号：J2.046.850E

(2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-ヘプタキス(ヒドロキシメチル)-36,38,39,40,41,42,43,44,45,46,47,48,49-トリデカヒドロキシ-37-[メチル(チオラトカルボノチオイル)アミノ]-2,5:7,10:12,15:17,20:22,25:27,30:32,35-ヘプタエタノ-1,3,6,8,11,13,16,18,21,23,26,28,31,33-テトラデカオキサシクロペンタトリアコンタン

(2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-Heptakis(hydroxymethyl)-36,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-37-[methyl(thiolatocarbonothioyl)amino]-2,5:7,10:12,15:17,20:22,25:27,30:32,35-heptaethano-1,3,6,8,11,13,16,18,21,23,26,28,31,33-tetradecaoxacyclopentatriacontane
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C44H72NO34S[S-]
分子式フリガナ： C44-H72-N-O34-S2
分子量： 1223.150
InChI： InChI=1S/C44H73NO34S2/c1-45(44(80)81)16-17(53)30-9(2-46)66-37(16)73-31-10(3-47)67-39(24(60)18(31)54)75-33-12(5-49)69-41(26(62)20(33)56)77-35-14(7-51)71-43(28(64)22(35)58)79-36-15(8-52)72-42(29(65)23(36)59)78-34-13(6-50)70-40(27(63)21(34)57)76-32-11(4-48)68-38(74-30)25(61)19(32)55/h9-43,46-65H,2-8H2,1H3,(H,80,81)/p-1/t9-,10-,11-,12-,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-/m1/s1
InChI key： IKMWJHGRQOIQIY-QASYHWDUSA-M
SMILES： CN([C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O[C@H]1O[C@@H]2CO)[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)C(=S)[S-]
体系名 (3件)：
  • (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-ヘプタキス(ヒドロキシメチル)-36,38,39,40,41,42,43,44,45,46,47,48,49-トリデカヒドロキシ-37-[メチル(チオラトカルボノチオイル)アミノ]-2,5:7,10:12,15:17,20:22,25:27,30:32,35-ヘプタエタノ-1,3,6,8,11,13,16,18,21,23,26,28,31,33-テトラデカオキサシクロペンタトリアコンタン
  • {メチル[(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)-36,38,39,40,41,42,43,44,45,46,47,48,49-トリデカヒドロキシ-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-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-37-イル]カルバモチオイル}スルファニド
  • {methyl[(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)-36,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(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-37-yl]carbamothioyl}sulfanide
その他の名称 (1件)：
  • (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-Heptakis(hydroxymethyl)-36,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-37-[methyl(thiolatocarbonothioyl)amino]-2,5:7,10:12,15:17,20:22,25:27,30:32,35-heptaethano-1,3,6,8,11,13,16,18,21,23,26,28,31,33-tetradecaoxacyclopentatriacontane
シソーラスmap：
シソーラスmap

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