ChemSpider 2D Image | crassocolide N | C20H26O4

crassocolide N

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID27025751

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1aR,5E,9E,10aS,13aS,14aR)-1a,5,9-Trimethyl-13-methylen-4,7,8,10a,13,13a,14,14a-octahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-2,12(1aH,3H)-dion [German] [ACD/IUPAC Name]
(1aR,5E,9E,10aS,13aS,14aR)-1a,5,9-Trimethyl-13-methylene-4,7,8,10a,13,13a,14,14a-octahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-2,12(1aH,3H)-dione [ACD/IUPAC Name]
(1aR,5E,9E,10aS,13aS,14aR)-1a,5,9-Triméthyl-13-méthylène-4,7,8,10a,13,13a,14,14a-octahydrooxiréno[4,5]cyclotétradéca[1,2-b]furane-2,12(1aH,3H)-dione [French] [ACD/IUPAC Name]
crassocolide N
Oxireno[4,5]cyclotetradeca[1,2-b]furan-2,12(1aH,3H)-dione, 4,7,8,10a,13,13a,14,14a-octahydro-1a,5,9-trimethyl-13-methylene-, (1aR,5E,9E,10aS,13aS,14aR)- [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: 511.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 224.5±30.2 °C
Index of Refraction: 1.538
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.34
ACD/KOC (pH 5.5): 1808.13
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.34
ACD/KOC (pH 7.4): 1808.13
Polar Surface Area: 56 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 291.0±5.0 cm3

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