ChemSpider 2D Image | (1R,2E,5R,8E,10Z,14E,17R)-13-[(4-Methoxybenzyl)oxy]-5-{[(4-methoxybenzyl)oxy]methyl}-3,11-dimethyl-19-methylene-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-7-one | C39H48O7

(1R,2E,5R,8E,10Z,14E,17R)-13-[(4-Methoxybenzyl)oxy]-5-{[(4-methoxybenzyl)oxy]methyl}-3,11-dimethyl-19-methylene-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-7-one

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID9938251

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2E,5R,8E,10Z,14E,17R)-13-[(4-Methoxybenzyl)oxy]-5-{[(4-methoxybenzyl)oxy]methyl}-3,11-dimethyl-19-methylen-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-7-on [German] [ACD/IUPAC Name]
(1R,2E,5R,8E,10Z,14E,17R)-13-[(4-Methoxybenzyl)oxy]-5-{[(4-methoxybenzyl)oxy]methyl}-3,11-dimethyl-19-methylene-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-7-one [ACD/IUPAC Name]
(1R,2E,5R,8E,10Z,14E,17R)-13-[(4-Méthoxybenzyl)oxy]-5-{[(4-méthoxybenzyl)oxy]méthyl}-3,11-diméthyl-19-méthylène-6,21-dioxabicyclo[15.3.1]hénicosa-2,8,10,14-tétraén-7-one [French] [ACD/IUPAC Name]
6,21-Dioxabicyclo[15.3.1]heneicosa-2,8,10,14-tetraen-7-one, 13-[(4-methoxyphenyl)methoxy]-5-[[(4-methoxyphenyl)methoxy]methyl]-3,11-dimethyl-19-methylene-, (1R,2E,5R,8E,10Z,14E,17R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 757.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 307.3±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 412455.81
ACD/KOC (pH 5.5): 363964.88
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 412455.81
ACD/KOC (pH 7.4): 363964.88
Polar Surface Area: 72 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 552.2±5.0 cm3

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