ChemSpider 2D Image | (2S,3S,4aS)-2,7-Dihydroxy-9-methoxy-4a-methyl-6-oxo-2,4,4a,6-tetrahydro-3H-benzo[c]chromen-3-yl acetate | C17H18O7

(2S,3S,4aS)-2,7-Dihydroxy-9-methoxy-4a-methyl-6-oxo-2,4,4a,6-tetrahydro-3H-benzo[c]chromen-3-yl acetate

  • Molecular FormulaC17H18O7
  • Average mass334.321 Da
  • Monoisotopic mass334.105255 Da
  • ChemSpider ID78442287

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4aS)-2,7-Dihydroxy-9-methoxy-4a-methyl-6-oxo-2,4,4a,6-tetrahydro-3H-benzo[c]chromen-3-yl acetate [ACD/IUPAC Name]
(2S,3S,4aS)-2,7-Dihydroxy-9-methoxy-4a-methyl-6-oxo-2,4,4a,6-tetrahydro-3H-benzo[c]chromen-3-yl-acetat [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-6-one, 3-(acetyloxy)-2,3,4,4a-tetrahydro-2,7-dihydroxy-9-methoxy-4a-methyl-, (2S,3S,4aS)- [ACD/Index Name]
Acétate de (2S,3S,4aS)-2,7-dihydroxy-9-méthoxy-4a-méthyl-6-oxo-2,4,4a,6-tétrahydro-3H-benzo[c]chromén-3-yle [French] [ACD/IUPAC Name]
(+)-(2S,3S,4aS)-altenuene-3-acetoxy ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 218.1±23.6 °C
Index of Refraction: 1.618
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.82
ACD/KOC (pH 5.5): 632.80
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 28.50
ACD/KOC (pH 7.4): 311.97
Polar Surface Area: 102 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 233.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement