ChemSpider 2D Image | Camphoratin C | C29H42O6

Camphoratin C

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID26380421

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,4β,5α)-3,4-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(3α,4β,5α)-3,4-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,4β,5α)-3,4-dihydroxy-4-méthyl-7,11-dioxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Camphoratin C
Ergosta-8,24(28)-dien-26-oic acid, 3,4-dihydroxy-4-methyl-7,11-dioxo-, (3α,4β,5α)- [ACD/Index Name]
3α,4β-dihydroxy-7,11-dioxo-4α-methylergosta-8,24(28)-dien-26-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 355.6±28.0 °C
Index of Refraction: 1.568
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 53.02
ACD/KOC (pH 5.5): 318.79
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.01
Polar Surface Area: 112 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

Click to predict properties on the Chemicalize site


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