ChemSpider 2D Image | (15alpha)-15-Hydroxy-4,4,14-trimethyl-3-oxochola-7,9(11)-dien-24-oic acid | C27H40O4

(15α)-15-Hydroxy-4,4,14-trimethyl-3-oxochola-7,9(11)-dien-24-oic acid

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID78441181

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(15α)-15-Hydroxy-4,4,14-trimethyl-3-oxochola-7,9(11)-dien-24-oic acid [ACD/IUPAC Name]
(15α)-15-Hydroxy-4,4,14-trimethyl-3-oxochola-7,9(11)-dien-24-säure [German] [ACD/IUPAC Name]
Acide (15α)-15-hydroxy-4,4,14-triméthyl-3-oxochola-7,9(11)-dién-24-oïque [French] [ACD/IUPAC Name]
Chola-7,9(11)-dien-24-oic acid, 15-hydroxy-4,4,14-trimethyl-3-oxo-, (15α)- [ACD/Index Name]
Ganoderic acid Jd

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 321.7±26.6 °C
Index of Refraction: 1.562
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 334.85
ACD/KOC (pH 5.5): 1304.10
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 5.34
ACD/KOC (pH 7.4): 20.80
Polar Surface Area: 75 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

Click to predict properties on the Chemicalize site


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