ChemSpider 2D Image | (3beta,5alpha)-3-Hydroxy-24,24-dimethoxy-4,4,14-trimethylchol-8-en-21-oic acid | C29H48O5

(3β,5α)-3-Hydroxy-24,24-dimethoxy-4,4,14-trimethylchol-8-en-21-oic acid

  • Molecular FormulaC29H48O5
  • Average mass476.688 Da
  • Monoisotopic mass476.350189 Da
  • ChemSpider ID78442719

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α)-3-Hydroxy-24,24-dimethoxy-4,4,14-trimethylchol-8-en-21-oic acid [ACD/IUPAC Name]
(3β,5α)-3-Hydroxy-24,24-dimethoxy-4,4,14-trimethylchol-8-en-21-säure [German] [ACD/IUPAC Name]
Acide (3β,5α)-3-hydroxy-24,24-diméthoxy-4,4,14-triméthylchol-8-én-21-oïque [French] [ACD/IUPAC Name]
Chol-8-en-21-oic acid, 3-hydroxy-24,24-dimethoxy-4,4,14-trimethyl-, (3β,5α)- [ACD/Index Name]
Gloeophyllic acid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 176.7±23.6 °C
Index of Refraction: 1.538
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 3863.08
ACD/KOC (pH 5.5): 6450.78
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 60.94
ACD/KOC (pH 7.4): 101.76
Polar Surface Area: 76 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 429.2±5.0 cm3

Click to predict properties on the Chemicalize site


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