ChemSpider 2D Image | rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide | C20H26O2

rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID29368031

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4Z,6Z,10E,13R)-4-Isopropenyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-on [German] [ACD/IUPAC Name]
(4Z,6Z,10E,13R)-4-Isopropenyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one [ACD/IUPAC Name]
(4Z,6Z,10E,13R)-4-Isopropényl-7,11-diméthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),4,6,10-tétraén-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one, 7,11-dimethyl-4-(1-methylethenyl)-, (4Z,6Z,10E,13R)- [ACD/Index Name]
rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide
(4Z,6Z,10E,13R*)-7,11-dimethyl-4-(prop-1-en-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one
  • Miscellaneous

    • Chemical Class:

      A cembrane diterpenoid isolated from the leaves of <ital>Croton gratissimus</ital>. ChEBI CHEBI:68869
      A cembrane diterpenoid isolated from the leaves of Croton gratissimus. ChEBI CHEBI:68869

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

Density: 1.0±0.1 g/cm3
Boiling Point: 490.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 207.5±26.1 °C
Index of Refraction: 1.534
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8681.64
ACD/KOC (pH 5.5): 22953.10
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8681.64
ACD/KOC (pH 7.4): 22953.10
Polar Surface Area: 26 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 36.5±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


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