ChemSpider 2D Image | (4S,5Z,7S,10R,13R)-4,7,10-Trihydroxy-4-isopropyl-7-methyl-11-methylene-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one | C20H30O5

(4S,5Z,7S,10R,13R)-4,7,10-Trihydroxy-4-isopropyl-7-methyl-11-methylene-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID58163759

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,5Z,7S,10R,13R)-4,7,10-Trihydroxy-4-isopropyl-7-methyl-11-methylen-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-on [German] [ACD/IUPAC Name]
(4S,5Z,7S,10R,13R)-4,7,10-Trihydroxy-4-isopropyl-7-methyl-11-methylene-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one [ACD/IUPAC Name]
(4S,5Z,7S,10R,13R)-4,7,10-Trihydroxy-4-isopropyl-7-méthyl-11-méthylène-14-oxabicyclo[11.2.1]hexadéca-1(16),5-dién-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one, 4,7,10-trihydroxy-7-methyl-11-methylene-4-(1-methylethyl)-, (4S,5Z,7S,10R,13R)- [ACD/Index Name]
(+)-(4S*,5E,7S*,10R*,13R*)-4,7,10-trihydroxy-7-methyl-11-methylidene-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one
rel-(+)-(1S,4S,7R,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 200.5±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.07
ACD/KOC (pH 5.5): 297.80
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.07
ACD/KOC (pH 7.4): 297.80
Polar Surface Area: 87 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 299.4±5.0 cm3

Click to predict properties on the Chemicalize site


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