Chem
J-GLOBAL ID：200907035597355295   Nikkaji number：J1.468.295C

C-CTX-1

C-CTX-1
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： C62H92O19
Molecular formula furigana： C62-H92-O19
Molecular weight： 1141.399
InChI： InChI=1S/C62H92O19/c1-32-21-41-45(26-47-49(73-41)28-53(66)61(5)57(77-47)30-59(3)55(79-61)16-15-54-58(2,81-59)18-19-62(67,31-63)80-54)75-50-29-56-60(4,78-51(50)22-32)52(65)27-48-37(76-56)10-7-6-9-34-35(71-48)11-8-12-36-38(69-34)13-14-39-43(70-36)25-46-44(72-39)24-40-42(74-46)23-33(64)17-20-68-40/h6-8,11,13-14,32-57,63-67H,9-10,12,15-31H2,1-5H3/b7-6-,11-8-/t32-,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+,61+,62+/m1/s1
InChI key： WFCQOYJANLJDGJ-AWRGGPNBSA-N
SMILES： C[C@@H]1C[C@@H]2O[C@@H]3C[C@H](O)[C@]4(C)O[C@@H]5CC[C@@H]6O[C@](O)(CO)CC[C@@]6(C)O[C@@]5(C)C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C/C=C\C[C@H]5O[C@H]6C=C[C@H]7O[C@H]8C[C@H]9OCC[C@H](O)C[C@@H]9O[C@@H]8C[C@@H]7O[C@@H]6CC=C[C@@H]5O[C@@H]4C[C@@H](O)[C@]3(C)O[C@@H]2C1
Systematic name  (3)：
  • (2S,5R,6S,9R,10S,12R,13S,14S,16R,17S,19R,20S,22R,24R,25S,27R,28S,29R,31R,32S,34Z,37R,38S,39Z,42R,43S,44Z,46R,47S,49R,50S,52R,53S,55S)-5,10,13,22,28-ペンタメチル-2,6:5,10:9,13:12,17:16,20:19,25:24,28:27,32:31,38:37,43:42,47:46,50:49,53:52,57-テトラデカエポキシヘプタペンタコンタン-34,39,44-トリエン-1,2,14,29,55-ペンタオール
  • (1R,3S,5Z,8R,10S,13R,15S,17R,21S,23S,25R,27S,29R,31Z,33S,35R,37R,38S,40R,42R,44S,46R,48S,49S,51R,54S,56S,59R,61S,63R,65S,67R,69S)-56-(ヒドロキシメチル)-38,42,49,59,61-ペンタメチル-2,9,14,18,24,28,34,39,45,50,55,60,64,68-テトラデカオキサテトラデカシクロ[36.32.0.03,35.08,33.010,29.013,27.015,25.017,23.040,69.044,67.046,65.049,63.051,61.054,59]ヘプタコンタ-5,11,31-トリエン-21,37,48,56-テトラオール
  • (1R,3S,5Z,8R,10S,13R,15S,17R,21S,23S,25R,27S,29R,31Z,33S,35R,37R,38S,40R,42R,44S,46R,48S,49S,51R,54S,56S,59R,61S,63R,65S,67R,69S)-56-(hydroxymethyl)-38,42,49,59,61-pentamethyl-2,9,14,18,24,28,34,39,45,50,55,60,64,68-tetradecaoxatetradecacyclo[36.32.0.03,35.08,33.010,29.013,27.015,25.017,23.040,69.044,67.046,65.049,63.051,61.054,59]heptaconta-5,11,31-triene-21,37,48,56-tetrol
Other name (4)：
  • (2S,5R,6S,9R,10S,12R,13S,14S,16R,17S,19R,20S,22R,24R,25S,27R,28S,29R,31R,32S,34Z,37R,38S,39Z,42R,43S,44Z,46R,47S,49R,50S,52R,53S,55S)-5,10,13,22,28-Pentamethyl-2,6:5,10:9,13:12,17:16,20:19,25:24,28:27,32:31,38:37,43:42,47:46,50:49,53:52,57-tetradecaepoxyheptapentacontane-34,39,44-triene-1,2,14,29,55-pentol
  • C-CTX-1
  • Caribbean ciguatoxin
  • カリビアンシガトキシン
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