Chemical Compound

(2R,2'R,3a'S,4S,4a'R,5'S,6'S,6a'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,26'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-2',5',9',10',37a'-pentamethyl-1',3',3a',4,4a',5,5',6',6a',9',10',10a',11a',12',12a',13a',14',14a',15a',16',19',19a',20a',22a',23a',24',24a',26',29',29a',30a',31',31a',32a',34a',35a',36',37',37a',38a'-tetracontahydro-2'H,3H-spiro[furan-2,8'-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]oxonine]-4,6',24',37'-tetrol

CAS Registry Number 11050-21-8
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(2R,2'R,3a'S,4S,4a'R,5'S,6'S,6a'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,26'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-2',5',9',10',37a'-pentamethyl-1',3',3a',4,4a',5,5',6',6a',9',10',10a',11a',12',12a',13a',14',14a',15a',16',19',19a',20a',22a',23a',24',24a',26',29',29a',30a',31',31a',32a',34a',35a',36',37',37a',38a'-tetracontahydro-2'H,3H-spiro[furan-2,8'-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]oxonine]-4,6',24',37'-tetrol 结构式
Primary record

(2R,2'R,3a'S,4S,4a'R,5'S,6'S,6a'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,26'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-2',5',9',10',37a'-pentamethyl-1',3',3a',4,4a',5,5',6',6a',9',10',10a',11a',12',12a',13a',14',14a',15a',16',19',19a',20a',22a',23a',24',24a',26',29',29a',30a',31',31a',32a',34a',35a',36',37',37a',38a'-tetracontahydro-2'H,3H-spiro[furan-2,8'-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]oxonine]-4,6',24',37'-tetrol

库存
1,594 克
纯度
98.1 %
CAS
11050-21-8

化合物标识与属性

CAS
11050-21-8
PubChem CID
5311333
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
Canonical SMILES
C[C@@H]1C[C@@H]2O[C@@H]3[C@@H](C)[C@H](O)[C@@H]4O[C@]5(C[C@H](O)CO5)[C@@H](C)[C@H](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]8[C@H](O)[C@H]9O[C@@H](/C=C/[C@H](O)CO)C=CC[C@@H]9O[C@@H]8C[C@@H]7O[C@@H]6C=C[C@@H]5O[C@@H]4C[C@@H](O)[C@]3(C)O[C@@H]2C1

名称与同义词

  • CIGUATOXIN
  • Ciguatoxin 1
  • Pacific ciguatoxin 1
  • Ciguatoxins
  • Ciguatoxin CTX 1
  • Ciguatoxin I
  • ciguatoxin-1
  • Ciguatoxin 1B
  • Ciguatoxin CTX1B
  • CTX 1
  • P-CTX 1
  • PcTx1
  • Ciguatoxin CTX-1B
  • Pacific ciguatoxin-1
  • RefChem:388885
  • CTX-1
  • D0I8OE
  • HSDB 7241
  • UNII-2UKQ3B7696
  • 2UKQ3B7696
  • P-CTX-1
  • DTXSID40880000
  • CTX-1 [MI]
  • DTXSID3042637
  • SCHEMBL13303026
  • CHEBI:36467
  • CHEBI:61275
  • VYVRIXWNTVOIRD-HYYFOAGSSA-N
  • DTXCID401763388
  • 11050-21-8
  • C60H86O19
  • CID5311333
  • C60-H86-O19
  • CID:5311333
  • LS-53705
  • SID:134224229
  • J1.039.802I
  • J1.866.175F
  • C16762
  • D002922
  • Q4387413
  • (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
  • CTX
  • (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,4'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-((1E,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
  • (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
  • (2R,2'R,3a'S,4S,4a'R,5'S,6'S,6a'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,26'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-2',5',9',10',37a'-pentamethyl-1',3',3a',4,4a',5,5',6',6a',9',10',10a',11a',12',12a',13a',14',14a',15a',16',19',19a',20a',22a',23a',24',24a',26',29',29a',30a',31',31a',32a',34a',35a',36',37',37a',38a'-tetracontahydro-2'H,3H-spiro[furan-2,8'-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]oxonine]-4,6',24',37'-tetrol
  • (2R,2'R,3aS,4'S,4aR,5S,6S,6aS,9S,10S,10aR,11aS,12aR,13aS,14aR,15aS,17Z,19aR,20aS,22aR,23aS,24R,24aR,26R,29aS,30aR,31aS,32aR,34aS,35aR,37R,37aS,38aR)-26-[(1E,3S)-3,4-Dihydroxybut-1-en-1-yl]-2,5,9,10,37a-pentamethyl-1,3,3a,4a,5,6,6a,9,10,10a,11a,12,12a,13a,14,14a,15a,16,19,19a,20a,22a,23a,24,24a,26,29,29a,30a,31,31a,32a,34a,35a,36,37,37a,38a-octatriacontahydro-2H-spiro[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]oxonine-8,2'-oxolane]-4',6,24,37-tetrol
  • (2S,3E,5R,6Z,9S,10R,11R,12S,13R,15S,16R,17Z,19S,20R,21Z,23S,24R,26Z,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-pentene-1,2,11,32,47,54-hexol
  • (2S,3E,5R,9S,10R,11R,12S,13R,15S,16R,19S,20R,23S,24R,26Z,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
  • 91-21-4
  • 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
  • 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.