ChemSpider 2D Image | (2S,4aS,6aR,7R,9R,10aS,10bS)-2-(3-Furyl)-6a,9-dihydroxy-10b-methyl-4,6-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylic acid | C19H22O8

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

  • Molecular FormulaC19H22O8
  • Average mass378.373 Da
  • Monoisotopic mass378.131470 Da
  • ChemSpider ID28424541

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

Click to predict properties on the Chemicalize site


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