ChemSpider 2D Image | kurziflavolactone C | C32H30O7

kurziflavolactone C

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID10214119

  • 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

(1S,7S,17S,19S)-3,19-Dihydroxy-7-phenyl-19-[(E)-2-phenylvinyl]-8,12,18-trioxatetracyclo[15.3.1.02,11.04,9]henicosa-2(11),3,9-trien-5,13-dion [German] [ACD/IUPAC Name]
(1S,7S,17S,19S)-3,19-Dihydroxy-7-phenyl-19-[(E)-2-phenylvinyl]-8,12,18-trioxatetracyclo[15.3.1.02,11.04,9]henicosa-2(11),3,9-triene-5,13-dione [ACD/IUPAC Name]
(1S,7S,17S,19S)-3,19-Dihydroxy-7-phényl-19-[(E)-2-phénylvinyl]-8,12,18-trioxatétracyclo[15.3.1.02,11.04,9]hénicosa-2(11),3,9-triène-5,13-dione [French] [ACD/IUPAC Name]
6,10-Methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione, 3,4,5,6,9,10,13,14-octahydro-8,11-dihydroxy-14-phenyl-8-[(E)-2-phenylethenyl]-, (6S,8S,10S,14S)- [ACD/Index Name]
kurziflavolactone C
(6R,8R,10R,14R)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 228.0±25.0 °C
Index of Refraction: 1.673
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18748.54
ACD/KOC (pH 5.5): 39160.46
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 3405.08
ACD/KOC (pH 7.4): 7112.26
Polar Surface Area: 102 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 390.6±3.0 cm3

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