ChemSpider 2D Image | (5aS,6aS,12aS,12bS)-12a,12b-Diethyl-1,3,4,5a,6a,8,9,11-octahydroxy-2,10-dimethyl-5a,6a,12a,12b-tetrahydrodinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetrone | C26H24O13

(5aS,6aS,12aS,12bS)-12a,12b-Diethyl-1,3,4,5a,6a,8,9,11-octahydroxy-2,10-dimethyl-5a,6a,12a,12b-tetrahydrodinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetrone

  • Molecular FormulaC26H24O13
  • Average mass544.461 Da
  • Monoisotopic mass544.121704 Da
  • ChemSpider ID8635442

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5aS,6aS,12aS,12bS)-12a,12b-Diethyl-1,3,4,5a,6a,8,9,11-octahydroxy-2,10-dimethyl-5a,6a,12a,12b-tetrahydrodinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetron [German] [ACD/IUPAC Name]
(5aS,6aS,12aS,12bS)-12a,12b-Diethyl-1,3,4,5a,6a,8,9,11-octahydroxy-2,10-dimethyl-5a,6a,12a,12b-tetrahydrodinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetrone [ACD/IUPAC Name]
(5aS,6aS,12aS,12bS)-12a,12b-Diéthyl-1,3,4,5a,6a,8,9,11-octahydroxy-2,10-diméthyl-5a,6a,12a,12b-tétrahydrodinaphto[2,3-b:2',3'-d]furane-5,7,12,13-tétrone [French] [ACD/IUPAC Name]
Dinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetrone, 12a,12b-diethyl-5a,6a,12a,12b-tetrahydro-1,3,4,5a,6a,8,9,11-octahydroxy-2,10-dimethyl-, (5aS,6aS,12aS,12bS)- [ACD/Index Name]
Hybocarpone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 942.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 319.6±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 11.41
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 135570.58
ACD/KOC (pH 5.5): 157012.70
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 2398.57
ACD/KOC (pH 7.4): 2777.93
Polar Surface Area: 239 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 119.7±3.0 dyne/cm
Molar Volume: 300.6±3.0 cm3

Click to predict properties on the Chemicalize site


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