ChemSpider 2D Image | (1R,2S,13R,15R,18S)-6,8-Dihydroxy-5,15-bis(3-methyl-2-buten-1-yl)-18-phenyl-3,16-dioxapentacyclo[11.4.1.0~2,11~.0~2,15~.0~4,9~]octadeca-4,6,8,11-tetraene-10,14,17-trione | C32H30O7

(1R,2S,13R,15R,18S)-6,8-Dihydroxy-5,15-bis(3-methyl-2-buten-1-yl)-18-phenyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14,17-trione

  • Molecular FormulaC32H30O7
  • Average mass526.576 Da
  • Monoisotopic mass526.199158 Da
  • ChemSpider ID29417138

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2S,13R,15R,18S)-6,8-Dihydroxy-5,15-bis(3-methyl-2-buten-1-yl)-18-phenyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-10,14,17-trion [German] [ACD/IUPAC Name]
(1R,2S,13R,15R,18S)-6,8-Dihydroxy-5,15-bis(3-methyl-2-buten-1-yl)-18-phenyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14,17-trione [ACD/IUPAC Name]
(1R,2S,13R,15R,18S)-6,8-Dihydroxy-5,15-bis(3-méthyl-2-butén-1-yl)-18-phényl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadéca-4,6,8,11-tétraène-10,14,17-trione [French] [ACD/IUPAC Name]
1,5-Methano-1H,3H-furo[3,4-d]xanthene-3,7,13(5H)-trione, 3a,4-dihydro-8,10-dihydroxy-1,11-bis(3-methyl-2-buten-1-yl)-4-phenyl-, (1R,3aR,4S,5R,12aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 779.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 257.8±26.4 °C
Index of Refraction: 1.675
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 41869.77
ACD/KOC (pH 5.5): 69943.76
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 9573.20
ACD/KOC (pH 7.4): 15992.09
Polar Surface Area: 110 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement