ChemSpider 2D Image | hyperaspidinol A | C32H32O9

hyperaspidinol A

  • Molecular FormulaC32H32O9
  • Average mass560.591 Da
  • Monoisotopic mass560.204651 Da
  • ChemSpider ID34999314

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(2S,3aS)-2,9a-Bis(1,3-benzodioxol-5-yl)-7-hydroxy-5-methoxy-6-methyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromen-8-yl]-3-methyl-1-butanon [German] [ACD/IUPAC Name]
1-[(2S,3aS)-2,9a-Bis(1,3-benzodioxol-5-yl)-7-hydroxy-5-methoxy-6-methyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromen-8-yl]-3-methyl-1-butanone [ACD/IUPAC Name]
1-[(2S,3aS)-2,9a-Bis(1,3-benzodioxol-5-yl)-7-hydroxy-5-méthoxy-6-méthyl-2,3,3a,9a-tétrahydro-4H-furo[2,3-b]chromén-8-yl]-3-méthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[(2S,3aS)-2,9a-bis(1,3-benzodioxol-5-yl)-2,3,3a,9a-tetrahydro-7-hydroxy-5-methoxy-6-methyl-4H-furo[2,3-b][1]benzopyran-8-yl]-3-methyl- [ACD/Index Name]
hyperaspidinol A
1-[(2S,3aS)-2,9a-bis(2H-1,3-benzodioxol-5-yl)-7-hydroxy-5-methoxy-6-methyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b][1]benzopyran-8-yl]-3-methylbutan-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 239.1±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54160.55
ACD/KOC (pH 5.5): 84651.79
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 22047.58
ACD/KOC (pH 7.4): 34459.89
Polar Surface Area: 102 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement