ChemSpider 2D Image | (2S,4aR,6aR,7R,9R,10aS,10bS)-2-(3-Furyl)-4a,6a,9-trihydroxy-10b-methyl-4,6-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylic acid | C19H22O9

(2S,4aR,6aR,7R,9R,10aS,10bS)-2-(3-Furyl)-4a,6a,9-trihydroxy-10b-methyl-4,6-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylic acid

  • Molecular FormulaC19H22O9
  • Average mass394.373 Da
  • Monoisotopic mass394.126373 Da
  • ChemSpider ID35293783

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4aR,6aR,7R,9R,10aS,10bS)-2-(3-Furyl)-4a,6a,9-trihydroxy-10b-methyl-4,6-dioxododecahydro-2H-benzo[f]isochromen-7-carbonsäure [German] [ACD/IUPAC Name]
(2S,4aR,6aR,7R,9R,10aS,10bS)-2-(3-Furyl)-4a,6a,9-trihydroxy-10b-methyl-4,6-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylic acid [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-4a,6a,9-trihydroxy-10b-methyl-4,6-dioxo-, (2S,4aR,6aR,7R,9R,10aS,10bS)- [ACD/Index Name]
Acide (2S,4aR,6aR,7R,9R,10aS,10bS)-2-(3-furyl)-4a,6a,9-trihydroxy-10b-méthyl-4,6-dioxododécahydro-2H-benzo[f]isochromène-7-carboxylique [French] [ACD/IUPAC Name]
[1187951-06-9] [RN]
1187951-06-9 [RN]
Diosbulbin J
MFCD20274627

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 85.1±3.0 dyne/cm
Molar Volume: 248.9±3.0 cm3

Click to predict properties on the Chemicalize site


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