ChemSpider 2D Image | (4S,5Z,7S,10R,13R)-4,7-Dihydroxy-4-isopropyl-7-methyl-11-methylene-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-10-yl acetate | C22H32O6

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

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID58140770

  • 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-Dihydroxy-4-isopropyl-7-methyl-11-methylen-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-10-yl-acetat [German] [ACD/IUPAC Name]
(4S,5Z,7S,10R,13R)-4,7-Dihydroxy-4-isopropyl-7-methyl-11-methylene-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-10-yl acetate [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one, 10-(acetyloxy)-4,7-dihydroxy-7-methyl-11-methylene-4-(1-methylethyl)-, (4S,5Z,7S,10R,13R)- [ACD/Index Name]
Acétate de (4S,5Z,7S,10R,13R)-4,7-dihydroxy-4-isopropyl-7-méthyl-11-méthylène-15-oxo-14-oxabicyclo[11.2.1]hexadéca-1(16),5-dién-10-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 192.8±23.6 °C
Index of Refraction: 1.539
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.19
ACD/KOC (pH 5.5): 968.23
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.19
ACD/KOC (pH 7.4): 968.23
Polar Surface Area: 93 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 337.3±5.0 cm3

Click to predict properties on the Chemicalize site


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