CTX-1

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	1111.3 g/mol [1]
Appearance	White solid [1]
Predicted LogP	2.5 [1]

Structural Identifiers []
Molecular formula	C60H86O19 [1]
IUPAC name	(1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol [1]
SMILES	C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)C[C@@H](CO5)O)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C\C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=C[C@@H](O3)/C=C/[C@@H](CO)O)O)O)(O[C@@H]6C1)C [1]
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/b7-6-,14-13+/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 [1]
InChIKey	VYVRIXWNTVOIRD-LRHBOZQDSA-N [1]

Ciguatoxin 1

(Redirected from Ciguatoxin 1)

Ciguatoxin 1 (also known as Ciguatoxin CTX 1, CIGUATOXIN, Ciguatoxins, CTX 1, P-CTX 1, Spiro(furan-2(3H),2'(3'H)-oxepino(2'''',3'''':5''',6''')pyrano(2''',3''':5'',6'')pyrano(2'',3'':6',7')oxepino(2',3':6,7)oxepino(3,2-b)pyrano(2''''',3''''':6'''',7'''')oxepino(2'''',3'''':5''',6''')pyrano(2''',3''':7'',8'')oxocino(2'',3'':5',6')pyrano(2',3':6,7)oxepino(2,3-h)oxonin), ciguatoxin deriv., PCTX 1, (1r,3s,3's,6r,8s,10r,12s,16r,18r,19s,20s,22r,25s,27r,29z,32s,34r,36s,38r,40s,42r,43s,44s,45r,47s,48s,49s,50r,52s,54r,56r,58s,59r)-16-((e,3s)-3,4-dihydroxybut-1-enyl)-3,43,44,49,54,58-hexamethylspiro(2,7,11,17,26,33,37,41,46,51,57-undecaoxadodecacyclo(30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47)hexaconta-4,14,23,29-tetraene-45,5'-oxolane)-3',19,48,59-tetrol, (1r,3s,3's,6r,8s,10r,12s,16r,18r,19s,20s,22r,25s,27r,29z,32s,34r,36s,38r,40s,42r,43s,44s,45r,47s,48s,49s,50r,52s,54r,56r,58s,59r)-16-[(e,3s)-3,4-dihydroxybut-1-enyl]-3,43,44,49,54,58-hexamethylspiro[2,7,11,17,26,33,37,41,46,51,57-undecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol or (1r,3s,6r,8s,10r,12s,16r,18r,19r,20s,22r,25s,27r,29z,32s,34r,36s,38r,40s,42r,43s,44s,45r,47s,50r,52s,54r,56r,58s)-16-((e)-3,4-dihydroxybut-1-enyl)-43,44,49,54,58-pentamethylspiro(2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo(30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47)hexaconta-4,14,23,29-tetraene-45,5'-oxolane)-3',19,48,59-tetrol)

Chemistry