ChemSpider 2D Image | Kurziflavolactone B | C32H30O7

Kurziflavolactone B

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID10214118

  • 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

(1R,5S,17R,19R)-9,19-Dihydroxy-5-phenyl-19-[(E)-2-phenylvinyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2,8,10-trien-7,13-dion [German] [ACD/IUPAC Name]
(1R,5S,17R,19R)-9,19-Dihydroxy-5-phenyl-19-[(E)-2-phenylvinyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2,8,10-triene-7,13-dione [ACD/IUPAC Name]
(1R,5S,17R,19R)-9,19-Dihydroxy-5-phényl-19-[(E)-2-phénylvinyl]-4,12,18-trioxatétracyclo[15.3.1.02,11.03,8]hénicosa-2,8,10-triène-7,13-dione [French] [ACD/IUPAC Name]
12,16-Methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione, 2,3,9,10,11,12,15,16-octahydro-5,14-dihydroxy-2-phenyl-14-[(E)-2-phenylethenyl]-, (2S,12R,14R,16R)- [ACD/Index Name]
Kurziflavolactone B
(2S,12R,14R,16R)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462968/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 241.5±26.4 °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): 5.99
ACD/BCF (pH 5.5): 20930.60
ACD/KOC (pH 5.5): 42641.34
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 5443.09
ACD/KOC (pH 7.4): 11089.06
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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