ChemSpider 2D Image | (3beta,5alpha,7beta,12alpha,14alpha,20S)-3,7,12-Trihydroxy-4,4,14,20-tetramethyl-11,15-dioxocard-8-enolide | C27H38O7

(3β,5α,7β,12α,14α,20S)-3,7,12-Trihydroxy-4,4,14,20-tetramethyl-11,15-dioxocard-8-enolide

  • Molecular FormulaC27H38O7
  • Average mass474.586 Da
  • Monoisotopic mass474.261749 Da
  • ChemSpider ID78442314

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,5α,7β,12α,14α,20S)-3,7,12-Trihydroxy-4,4,14,20-tetramethyl-11,15-dioxocard-8-enolid [German] [ACD/IUPAC Name]
(3β,5α,7β,12α,14α,20S)-3,7,12-Trihydroxy-4,4,14,20-tetramethyl-11,15-dioxocard-8-enolide [ACD/IUPAC Name]
(3β,5α,7β,12α,14α,20S)-3,7,12-Trihydroxy-4,4,14,20-tétraméthyl-11,15-dioxocard-8-énolide [French] [ACD/IUPAC Name]
Card-8-enolide, 3,7,12-trihydroxy-4,4,14,20-tetramethyl-11,15-dioxo-, (3β,5α,7β,12α,14α,20S)- [ACD/Index Name]
12-epi-ganoderlactone D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±6.0 kJ/mol
Flash Point: 225.3±25.0 °C
Index of Refraction: 1.592
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.96
ACD/KOC (pH 5.5): 180.43
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.96
ACD/KOC (pH 7.4): 180.42
Polar Surface Area: 121 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 363.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement