ChemSpider 2D Image | Methyl (3beta,5xi,7beta)-3,7,24-trihydroxy-11,15,23-trioxolanost-8-en-26-oate | C31H46O8

Methyl (3β,5ξ,7β)-3,7,24-trihydroxy-11,15,23-trioxolanost-8-en-26-oate

  • Molecular FormulaC31H46O8
  • Average mass546.692 Da
  • Monoisotopic mass546.319275 Da
  • ChemSpider ID78445650

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(3β,5ξ,7β)-3,7,24-Trihydroxy-11,15,23-trioxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7,24-trihydroxy-11,15,23-trioxo-, methyl ester, (3β,5ξ,7β)- [ACD/Index Name]
Methyl (3β,5ξ,7β)-3,7,24-trihydroxy-11,15,23-trioxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,5ξ,7β)-3,7,24-trihydroxy-11,15,23-trioxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
Resinacein O

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.0±6.0 kJ/mol
Flash Point: 220.3±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.67
ACD/KOC (pH 5.5): 841.63
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.67
ACD/KOC (pH 7.4): 841.62
Polar Surface Area: 138 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 444.2±5.0 cm3

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