ChemSpider 2D Image | albanol A | C34H26O8

albanol A

  • Molecular FormulaC34H26O8
  • Average mass562.565 Da
  • Monoisotopic mass562.162781 Da
  • ChemSpider ID8135141

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,8aS,13bR,13cS)-8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromen-4,11-diol [German] [ACD/IUPAC Name]
(3aR,8aS,13bR,13cS)-8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol [ACD/IUPAC Name]
(3aR,8aS,13bR,13cS)-8a-(2,4-Dihydroxyphényl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-méthyl-1,8a,13b,13c-tétrahydro-3aH-benzo[3,4]isochroméno[1,8-bc]chromène-4,11-diol [French] [ACD/IUPAC Name]
3aH-Benzo[c][1]benzopyrano[4,3,2-ij][2]benzopyran-4,11-diol, 8a-(2,4-dihydroxyphenyl)-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3aR,8aS,13bR,13cS)- [ACD/Index Name]
albanol A
Mulberrofuran G
(3aR,3a1S,8aS,13bR)-8a-(2,4-dihydroxyphenyl)-6-(6-hydroxybenzofuran-2-yl)-2-methyl-1,3a1,8a,13b-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol
87085-00-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445265/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.745
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51451.91
ACD/KOC (pH 5.5): 82011.20
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 47437.18
ACD/KOC (pH 7.4): 75611.98
Polar Surface Area: 133 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 378.9±3.0 cm3

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