物質
J-GLOBAL ID：200907032509531829   日化辞番号：J2.358.322D

(2S,5R,9S,10R,11S,12S,13R,15S,16R,19S,20R,23S,24R,29S,30R,32R,33S,34R,36S,37R,39R,41S,42R,44S,45R,46S,47S,48S,49R,50S,51S,52R,54S)-33,39,46,50,51-ペンタメチル-5,10:9,13:12,16:15,20:19,24:23,30:29,34:33,37:36,42:41,45:44,49:48,52:52,55-トリデカエポキシペンタペンタコンタン-3,6,17,21,26-ペンタエン-1,2,11,32,47,54-ヘキサオール

CTX-1B
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： C60H86O19
分子式フリガナ： C60-H86-O19
分子量： 1111.329
InChI： InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/t28-,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-,55-,56+,57-,58+,59+,60-/m1/s1
InChI key： VYVRIXWNTVOIRD-JSFDZINTSA-N
SMILES： C[C@H]1[C@H](C)[C@@]2(C[C@H](O)CO2)O[C@@H]2[C@@H]1O[C@H]1C[C@H]3O[C@H]4C[C@H]5O[C@H]6CC=CC[C@H]7O[C@H]8C=C[C@H]9O[C@@H]%10[C@@H](C[C@@H]9O[C@@H]8C=C[C@@H]7O[C@@H]6C[C@@H](O)[C@]5(C)O[C@@H]4C[C@H](C)C[C@@H]3O[C@@H]1[C@@H](C)[C@@H]2O)O[C@H]1CC=C[C@@H](O[C@@H]1[C@@H]%10O)C=C[C@H](O)CO
体系名 (3件)：
  • (2S,5R,9S,10R,11S,12S,13R,15S,16R,19S,20R,23S,24R,29S,30R,32R,33S,34R,36S,37R,39R,41S,42R,44S,45R,46S,47S,48S,49R,50S,51S,52R,54S)-33,39,46,50,51-ペンタメチル-5,10:9,13:12,16:15,20:19,24:23,30:29,34:33,37:36,42:41,45:44,49:48,52:52,55-トリデカエポキシペンタペンタコンタン-3,6,17,21,26-ペンタエン-1,2,11,32,47,54-ヘキサオール
  • (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19S,20S,22R,25S,27R,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(3S)-3,4-ジヒドロキシブタ-1-エン-1-イル]-43,44,49,54,58-ペンタメチル-2,7,11,17,21,26,33,37,41,46,51,57-ドデカオキサスピロ[ドデカシクロ[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]ヘキサコンタン-45,2'-オキソラン]-4,14,23,29-テトラエン-4',19,48,59-テトラオール
  • (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19S,20S,22R,25S,27R,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(3S)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-4',19,48,59-tetrol
その他の名称 (2件)：
  • (2S,5R,9S,10R,11S,12S,13R,15S,16R,19S,20R,23S,24R,29S,30R,32R,33S,34R,36S,37R,39R,41S,42R,44S,45R,46S,47S,48S,49R,50S,51S,52R,54S)-33,39,46,50,51-Pentamethyl-5,10:9,13:12,16:15,20:19,24:23,30:29,34:33,37:36,42:41,45:44,49:48,52:52,55-tridecaepoxypentapentacontane-3,6,17,21,26-pentaene-1,2,11,32,47,54-hexaol
  • CTX-1B
シソーラスmap：
シソーラスmap

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