物質
J-GLOBAL ID：200907093683996236   日化辞番号：J1.724.204K

ギムノシンA

Gymnocin A
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： C55H80O18
分子式フリガナ： C55-H80-O18
分子量： 1029.227
InChI： InChI=1S/C55H80O18/c1-24(23-56)5-6-26-11-32-33(61-26)13-28(58)52-46(65-32)19-41-35(70-52)14-29(59)53-47(66-41)20-43-49(71-53)22-55(4)51(69-43)10-8-31-45(73-55)18-40-37(63-31)15-39-38(64-40)16-42-48(67-39)21-54(3)50(68-42)9-7-30-44(72-54)17-36-34(62-30)12-27(57)25(2)60-36/h5,23,25-53,57-59H,6-22H2,1-4H3/b24-5+/t25-,26+,27+,28+,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+/m1/s1
InChI key： SHYKGRAJWKSPPP-FEPPLQAISA-N
SMILES： C[C@H]1O[C@H]2C[C@H]3O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@H]8CC[C@H]9O[C@H]%10C[C@H]%11O[C@H]%12C[C@H]%13O[C@H]%14C[C@H](C/C=C(\C)/C=O)O[C@@H]%14C[C@H](O)[C@@H]%13O[C@@H]%12C[C@H](O)[C@@H]%11O[C@@H]%10C[C@]9(C)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@@H]4CC[C@@H]3O[C@@H]2C[C@@H]1O
体系名 (3件)：
  • (2R,3S,5R,6S,8R,9S,12R,13S,15R,16S,18R,19S,21R,22S,24R,25S,28R,29S,31R,32S,34R,35S,36S,38R,39S,41R,42S,43S,45R,46S,48S,50E)-13,29,51-トリメチル-2,6:5,9:8,13:12,16:15,19:18,22:21,25:24,29:28,32:31,35:34,39:38,42:41,46:45,48-テトラデカエポキシ-3,36,43-トリヒドロキシ-52-オキソドペンタコンタン-50-エン
  • (2E)-2-メチル-4-[(1R,3S,5R,7S,8S,10R,12S,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-8,13,47-トリヒドロキシ-3,40,46-トリメチル-2,6,11,16,20,24,28,33,37,41,45,50,55,59-テトラデカオキサテトラデカシクロ[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]ヘンヘキサコンタン-17-イル]ブタ-2-エナール
  • (2E)-2-methyl-4-[(1R,3S,5R,7S,8S,10R,12S,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-8,13,47-trihydroxy-3,40,46-trimethyl-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]but-2-enal
その他の名称 (4件)：
  • (2R,3S,5R,6S,8R,9S,12R,13S,15R,16S,18R,19S,21R,22S,24R,25S,28R,29S,31R,32S,34R,35S,36S,38R,39S,41R,42S,43S,45R,46S,48S,50E)-13,29,51-Trimethyl-2,6:5,9:8,13:12,16:15,19:18,22:21,25:24,29:28,32:31,35:34,39:38,42:41,46:45,48-tetradecaepoxy-3,36,43-trihydroxy-52-oxodopentacontane-50-ene
  • ギムノシンA
  • Gymnocin A
  • ジムノシンA
シソーラスmap：
シソーラスmap

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