物質
J-GLOBAL ID：201407014867678612   日化辞番号：J3.300.928C

(2R,4S,5S,7R,9S,10S,12R,14S,15S,17R,19S,20S,22R,24S,25S,27R,29S,30S,32R,34S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-ヘプタホルミル-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-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,4S,5S,7R,9S,10S,12R,14S,15S,17R,19S,20S,22R,24S,25S,27R,29S,30S,32R,34S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-Heptaformyl-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-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： C42H56O35
分子式フリガナ： C42-H56-O35
分子量： 1120.875
InChI： InChI=1S/C42H56O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h1-42,50-63H/t8-,9-,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+/m1/s1
InChI key： DXULPKZSSWHVLU-FCJOHOJTSA-N
SMILES： O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3O[C@H](C=O)[C@@H](O[C@@H]4O[C@H](C=O)[C@@H](O[C@@H]5O[C@H](C=O)[C@@H](O[C@@H]6O[C@H](C=O)[C@@H](O[C@@H]7O[C@H](C=O)[C@@H](O[C@@H]8O[C@H](C=O)[C@@H](O[C@@H]1O[C@@H]2C=O)[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
体系名 (3件)：
  • (2R,4S,5S,7R,9S,10S,12R,14S,15S,17R,19S,20S,22R,24S,25S,27R,29S,30S,32R,34S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-ヘプタホルミル-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-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
  • (1S,3R,5S,6S,8R,10S,11S,13R,15S,16S,18R,20S,21S,23R,25S,26S,28R,30S,31S,33R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-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-5,10,15,20,25,30,35-ヘプタカルバルデヒド
  • (1S,3R,5S,6S,8R,10S,11S,13R,15S,16S,18R,20S,21S,23R,25S,26S,28R,30S,31S,33R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-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-5,10,15,20,25,30,35-heptacarbaldehyde
その他の名称 (1件)：
  • (2R,4S,5S,7R,9S,10S,12R,14S,15S,17R,19S,20S,22R,24S,25S,27R,29S,30S,32R,34S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-Heptaformyl-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-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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