ChemSpider 2D Image | (13R)-3,5,15-Trihydroxy-4-[(2E)-3-phenyl-2-propenoyl]-15-[(E)-2-phenylvinyl]-8,14-dioxatricyclo[11.3.1.0~2,7~]heptadeca-2,4,6-trien-9-one | C32H30O7

(13R)-3,5,15-Trihydroxy-4-[(2E)-3-phenyl-2-propenoyl]-15-[(E)-2-phenylvinyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2,4,6-trien-9-one

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID9630142

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(13R)-3,5,15-Trihydroxy-4-[(2E)-3-phenyl-2-propenoyl]-15-[(E)-2-phenylvinyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2,4,6-trien-9-on [German] [ACD/IUPAC Name]
(13R)-3,5,15-Trihydroxy-4-[(2E)-3-phenyl-2-propenoyl]-15-[(E)-2-phenylvinyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2,4,6-trien-9-one [ACD/IUPAC Name]
(13R)-3,5,15-Trihydroxy-4-[(2E)-3-phényl-2-propenoyl]-15-[(E)-2-phénylvinyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadéca-2,4,6-trién-9-one [French] [ACD/IUPAC Name]
6,10-Methano-2H,8H-1,7-benzodioxacyclododecin-2-one, 3,4,5,6,9,10-hexahydro-8,11,13-trihydroxy-12-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-8-[(E)-2-phenylethenyl]-, (6R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 231.9±26.4 °C
Index of Refraction: 1.699
Molar Refractivity: 150.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3559.67
ACD/KOC (pH 5.5): 11375.87
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 140.37
ACD/KOC (pH 7.4): 448.59
Polar Surface Area: 113 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 390.8±3.0 cm3

Click to predict properties on the Chemicalize site


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