ChemSpider 2D Image | Camphoratin A, (rel)- | C29H44O6

Camphoratin A, (rel)-

  • Molecular FormulaC29H44O6
  • Average mass488.656 Da
  • Monoisotopic mass488.313782 Da
  • ChemSpider ID26379242

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3α,4α,5α,7β,12α)-3,7,12-Trihydroxy-4-methyl-11-oxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(3α,4α,5α,7β,12α)-3,7,12-Trihydroxy-4-methyl-11-oxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,4α,5α,7β,12α)-3,7,12-trihydroxy-4-méthyl-11-oxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Camphoratin A, (rel)-
Ergosta-8,24(28)-dien-26-oic acid, 3,7,12-trihydroxy-4-methyl-11-oxo-, (3α,4α,5α,7β,12α)- [ACD/Index Name]
Camphoratin A
rel-3α,7β,11α-trihydroxy-11-oxo-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: 676.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 376.9±28.0 °C
Index of Refraction: 1.572
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 24.47
ACD/KOC (pH 5.5): 183.22
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 115 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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