ChemSpider 2D Image | Camphoratin B | C29H44O5

Camphoratin B

  • Molecular FormulaC29H44O5
  • Average mass472.657 Da
  • Monoisotopic mass472.318878 Da
  • ChemSpider ID26378870

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,4α,5α,7β)-3,7-Dihydroxy-4-methyl-11-oxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(3α,4α,5α,7β)-3,7-Dihydroxy-4-methyl-11-oxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,4α,5α,7β)-3,7-dihydroxy-4-méthyl-11-oxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Camphoratin B
Ergosta-8,24(28)-dien-26-oic acid, 3,7-dihydroxy-4-methyl-11-oxo-, (3α,4α,5α,7β)- [ACD/Index Name]
3α,7β-dihydroxy-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: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 356.4±28.0 °C
Index of Refraction: 1.560
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 198.75
ACD/KOC (pH 5.5): 820.94
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 12.90
Polar Surface Area: 95 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

Click to predict properties on the Chemicalize site


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