ChemSpider 2D Image | (3beta,5alpha,7beta,12beta)-3,7,12-Trihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-ene-11,15,24-trione | C27H38O7

(3β,5α,7β,12β)-3,7,12-Trihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-ene-11,15,24-trione

  • Molecular FormulaC27H38O7
  • Average mass474.586 Da
  • Monoisotopic mass474.261749 Da
  • ChemSpider ID59000841

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,7β,12β)-3,7,12-Trihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-en-11,15,24-trion [German] [ACD/IUPAC Name]
(3β,5α,7β,12β)-3,7,12-Trihydroxy-4,4,14-trimethyl-20,24-epoxychol-8-ene-11,15,24-trione [ACD/IUPAC Name]
(3β,5α,7β,12β)-3,7,12-Trihydroxy-4,4,14-triméthyl-20,24-époxychol-8-ène-11,15,24-trione [French] [ACD/IUPAC Name]
Chol-8-ene-11,15,24-trione, 20,24-epoxy-3,7,12-trihydroxy-4,4,14-trimethyl-, (3β,5α,7β,12β)- [ACD/Index Name]
(3S,5R,7S,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione
1801934-15-5 [RN]
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: 0.87
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.18
ACD/KOC (pH 5.5): 232.24
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.18
ACD/KOC (pH 7.4): 232.23
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


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