ChemSpider 2D Image | (3beta,5xi,15alpha,17xi,24E)-3,15,20-Trihydroxy-11-oxolanosta-8,24-dien-26-oic acid | C30H46O6

(3β,5ξ,15α,17ξ,24E)-3,15,20-Trihydroxy-11-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID78442393

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,5ξ,15α,17ξ,24E)-3,15,20-Trihydroxy-11-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,15α,17ξ,24E)-3,15,20-Trihydroxy-11-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,15α,17ξ,24E)-3,15,20-trihydroxy-11-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,15,20-trihydroxy-11-oxo-, (3β,5ξ,15α,17ξ,24E)- [ACD/Index Name]
Resinacein C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 380.7±28.0 °C
Index of Refraction: 1.576
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 221.57
ACD/KOC (pH 5.5): 1107.76
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 3.82
ACD/KOC (pH 7.4): 19.08
Polar Surface Area: 115 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 417.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement