ChemSpider 2D Image | (1S,8S,9R,11R,13R,14R,15S,19R)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylene-10,12-dioxahexacyclo[9.8.0.0~1,15~.0~2,8~.0~5,9~.0~8,13~]nonadecan-7-one | C20H26O6

(1S,8S,9R,11R,13R,14R,15S,19R)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID103748993

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,8S,9R,11R,13R,14R,15S,19R)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylen-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-on [German] [ACD/IUPAC Name]
(1S,8S,9R,11R,13R,14R,15S,19R)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one [ACD/IUPAC Name]
(1S,8S,9R,11R,13R,14R,15S,19R)-13,14,19-Trihydroxy-16,16-diméthyl-6-méthylène-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadécan-7-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 210.0±23.6 °C
Index of Refraction: 1.649
Molar Refractivity: 90.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.36
ACD/KOC (pH 5.5): 599.70
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.32
ACD/KOC (pH 7.4): 599.28
Polar Surface Area: 96 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 247.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement