ChemSpider 2D Image | Methyl (3beta,5xi,12beta,25R)-3,12-dihydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate | C31H44O8

Methyl (3β,5ξ,12β,25R)-3,12-dihydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate

  • Molecular FormulaC31H44O8
  • Average mass544.676 Da
  • Monoisotopic mass544.303589 Da
  • ChemSpider ID57257078

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5ξ,12β,25R)-3,12-Dihydroxy-7,11,15,23-tétraoxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,12-dihydroxy-7,11,15,23-tetraoxo-, methyl ester, (3β,5ξ,12β,25R)- [ACD/Index Name]
Methyl (3β,5ξ,12β,25R)-3,12-dihydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,5ξ,12β,25R)-3,12-dihydroxy-7,11,15,23-tetraoxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
105742-81-2 [RN]
Methyl ganoderate C6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 213.8±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.96
ACD/KOC (pH 5.5): 836.62
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.95
ACD/KOC (pH 7.4): 836.59
Polar Surface Area: 135 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 443.1±5.0 cm3

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