ChemSpider 2D Image | 5-epi-Liphagal | C22H28O4

5-epi-Liphagal

  • Molecular FormulaC22H28O4
  • Average mass356.455 Da
  • Monoisotopic mass356.198761 Da
  • ChemSpider ID28290039

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,7S,12cR)-10,11-Dihydroxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan-9-carbaldehyd [German] [ACD/IUPAC Name]
(4aS,7S,12cR)-10,11-Dihydroxy-4,4,7,12c-tetramethyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furan-9-carbaldehyde [ACD/IUPAC Name]
(4aS,7S,12cR)-10,11-Dihydroxy-4,4,7,12c-tétraméthyl-2,3,4,4a,5,6,7,12c-octahydro-1H-benzo[b]benzo[6,7]cyclohepta[1,2-d]furane-9-carbaldéhyde [French] [ACD/IUPAC Name]
1H-Benzo[b]benzo[6,7]cyclohepta[1,2-d]furan-9-carboxaldehyde, 2,3,4,4a,5,6,7,12c-octahydro-10,11-dihydroxy-4,4,7,12c-tetramethyl-, (4aS,7S,12cR)- [ACD/Index Name]
5-epi-Liphagal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 241.4±27.3 °C
Index of Refraction: 1.595
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33542.19
ACD/KOC (pH 5.5): 60303.97
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 23688.23
ACD/KOC (pH 7.4): 42588.00
Polar Surface Area: 71 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 304.6±3.0 cm3

Click to predict properties on the Chemicalize site


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