ChemSpider 2D Image | (5xi,10xi,13xi,16alpha,17xi)-3-Acetoxy-16-hydroxy-12,24-dimethyllanosta-8,25-dien-21-oic acid | C34H54O5

(5ξ,10ξ,13ξ,16α,17ξ)-3-Acetoxy-16-hydroxy-12,24-dimethyllanosta-8,25-dien-21-oic acid

  • Molecular FormulaC34H54O5
  • Average mass542.790 Da
  • Monoisotopic mass542.397095 Da
  • ChemSpider ID4885322

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(5ξ,10ξ,13ξ,16α,17ξ)-3-Acetoxy-16-hydroxy-12,24-dimethyllanosta-8,25-dien-21-oic acid [ACD/IUPAC Name]
(5ξ,10ξ,13ξ,16α,17ξ)-3-Acetoxy-16-hydroxy-12,24-dimethyllanosta-8,25-dien-21-säure [German] [ACD/IUPAC Name]
Acide (5ξ,10ξ,13ξ,16α,17ξ)-3-acétoxy-16-hydroxy-12,24-diméthyllanosta-8,25-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,25-dien-21-oic acid, 3-(acetyloxy)-16-hydroxy-12,24-dimethyl-, (5ξ,10ξ,13ξ,16α,17ξ)- [ACD/Index Name]
Tsugaric acid B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.8±6.0 kJ/mol
Flash Point: 183.8±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.12
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 207610.95
ACD/KOC (pH 5.5): 116492.38
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 3262.66
ACD/KOC (pH 7.4): 1830.71
Polar Surface Area: 84 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 496.8±5.0 cm3

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