ChemSpider 2D Image | caylobolide A | C42H82O11

caylobolide A

  • Molecular FormulaC42H82O11
  • Average mass763.094 Da
  • Monoisotopic mass762.585693 Da
  • ChemSpider ID9269049

  • defined stereocentres - 4 of 12 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(26S,28S,30S,34S)-36-(2-Hexanyl)-6,10,14,18,22,26,28,30,34-nonahydroxy-4-methyloxacyclohexatriacontan-2-on [German] [ACD/IUPAC Name]
(26S,28S,30S,34S)-36-(2-Hexanyl)-6,10,14,18,22,26,28,30,34-nonahydroxy-4-methyloxacyclohexatriacontan-2-one [ACD/IUPAC Name]
(26S,28S,30S,34S)-36-(2-Hexanyl)-6,10,14,18,22,26,28,30,34-nonahydroxy-4-méthyloxacyclohexatriacontan-2-one [French] [ACD/IUPAC Name]
caylobolide A
Oxacyclohexatriacontan-2-one, 6,10,14,18,22,26,28,30,34-nonahydroxy-4-methyl-36-(1-methylpentyl)-, (26S,28S,30S,34S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 929.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.5±6.0 kJ/mol
Flash Point: 266.6±27.8 °C
Index of Refraction: 1.494
Molar Refractivity: 209.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 410.68
ACD/KOC (pH 5.5): 2582.71
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 410.68
ACD/KOC (pH 7.4): 2582.71
Polar Surface Area: 208 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 720.6±3.0 cm3

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