ChemSpider 2D Image | clavulactone | C20H28O3

clavulactone

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID23339983

  • 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

(5aR,7S,11Z,13aS,13bS)-3,7,11,13a-Tetramethyl-1,2,5a,6,7,8,10,13,13a,13b-decahydro-5-oxacycloundeca[cd]inden-4,9-dion [German] [ACD/IUPAC Name]
(5aR,7S,11Z,13aS,13bS)-3,7,11,13a-Tetramethyl-1,2,5a,6,7,8,10,13,13a,13b-decahydro-5-oxacycloundeca[cd]indene-4,9-dione [ACD/IUPAC Name]
(5aR,7S,11Z,13aS,13bS)-3,7,11,13a-Tétraméthyl-1,2,5a,6,7,8,10,13,13a,13b-décahydro-5-oxacycloundéca[cd]indène-4,9-dione [French] [ACD/IUPAC Name]
5-Oxacycloundec[cd]indene-4,9-dione, 1,2,5a,6,7,8,10,13,13a,13b-decahydro-3,7,11,13a-tetramethyl-, (5aR,7S,11Z,13aS,13bS)- [ACD/Index Name]
clavulactone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517325/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 208.6±28.8 °C
Index of Refraction: 1.531
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 967.51
ACD/KOC (pH 5.5): 4772.33
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 967.51
ACD/KOC (pH 7.4): 4772.33
Polar Surface Area: 43 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 289.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement