ChemSpider 2D Image | crassocolide P | C22H30O4

crassocolide P

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID27025053

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3aS,5Z,7S,10E,14E,15aS)-6,10,14-Trimethyl-3-methylen-2-oxo-2,3,3a,4,7,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-7-yl-acetat [German] [ACD/IUPAC Name]
(3aS,5Z,7S,10E,14E,15aS)-6,10,14-Trimethyl-3-methylene-2-oxo-2,3,3a,4,7,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-7-yl acetate [ACD/IUPAC Name]
Acétate de (3aS,5Z,7S,10E,14E,15aS)-6,10,14-triméthyl-3-méthylène-2-oxo-2,3,3a,4,7,8,9,12,13,15a-décahydrocyclotétradéca[b]furan-7-yle [French] [ACD/IUPAC Name]
crassocolide P
Cyclotetradeca[b]furan-2(3H)-one, 7-(acetyloxy)-3a,4,7,8,9,12,13,15a-octahydro-6,10,14-trimethyl-3-methylene-, (3aS,5Z,7S,10E,14E,15aS)- [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: 503.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 250.0±28.5 °C
Index of Refraction: 1.521
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2961.98
ACD/KOC (pH 5.5): 10630.49
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2961.98
ACD/KOC (pH 7.4): 10630.49
Polar Surface Area: 53 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 334.9±5.0 cm3

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