ChemSpider 2D Image | (17'Z)-26'-[(1Z)-3,4-Dihydroxy-1-buten-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',30
a',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]-6',10',24',37'-tetrol | C60H86O19

(17'Z)-26'-[(1Z)-3,4-Dihydroxy-1-buten-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',30 a',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]-6',10',24',37'-tetrol

  • Molecular FormulaC60H86O19
  • Average mass1111.313 Da
  • Monoisotopic mass1110.576294 Da
  • ChemSpider ID35014792
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(29Z)-16-[(1Z)-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[30.28.0.0�,�7.06,�5.08,��.0��,��.0��,�8.0�??,58.0�6,56.0�8,5�.04�,5�.04�,47]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19
54-Deoxy-50-hydroxyciguatoxin
54-Deoxy-50-hydroxyciguatoxin, 9CI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 284.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6895.23
ACD/KOC (pH 5.5): 19463.64
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6895.20
ACD/KOC (pH 7.4): 19463.56
Polar Surface Area: 241 Å2
Polarizability: 112.6±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 799.8±5.0 cm3

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