ChemSpider 2D Image | Methyl (3beta,9xi,15alpha,24S)-3,15,24-trihydroxy-7,11,23-trioxolanostan-26-oate | C31H48O8

Methyl (3β,9ξ,15α,24S)-3,15,24-trihydroxy-7,11,23-trioxolanostan-26-oate

  • Molecular FormulaC31H48O8
  • Average mass548.708 Da
  • Monoisotopic mass548.334900 Da
  • ChemSpider ID58825947

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(3β,9ξ,15α,24S)-3,15,24-Trihydroxy-7,11,23-trioxolanostan-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanostan-26-oic acid, 3,15,24-trihydroxy-7,11,23-trioxo-, methyl ester, (3β,9ξ,15α,24S)- [ACD/Index Name]
Methyl (3β,9ξ,15α,24S)-3,15,24-trihydroxy-7,11,23-trioxolanostan-26-oate [ACD/IUPAC Name]
Methyl-(3β,9ξ,15α,24S)-3,15,24-trihydroxy-7,11,23-trioxolanostan-26-oat [German] [ACD/IUPAC Name]
ganoderesin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 213.4±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.32
ACD/KOC (pH 5.5): 473.20
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.32
ACD/KOC (pH 7.4): 473.19
Polar Surface Area: 138 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 464.3±3.0 cm3

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