ChemSpider 2D Image | Methyl (3beta,7beta,12alpha)-3,7,12-trihydroxy-11,15,23-trioxolanost-8-en-26-oate | C31H46O8

Methyl (3β,7β,12α)-3,7,12-trihydroxy-11,15,23-trioxolanost-8-en-26-oate

  • Molecular FormulaC31H46O8
  • Average mass546.692 Da
  • Monoisotopic mass546.319275 Da
  • ChemSpider ID78441485

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,7β,12α)-3,7,12-Trihydroxy-11,15,23-trioxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7,12-trihydroxy-11,15,23-trioxo-, methyl ester, (3β,7β,12α)- [ACD/Index Name]
Methyl (3β,7β,12α)-3,7,12-trihydroxy-11,15,23-trioxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,7β,12α)-3,7,12-trihydroxy-11,15,23-trioxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
Ganodernoid E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 218.3±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: 1.72
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.68
ACD/KOC (pH 5.5): 569.80
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.68
ACD/KOC (pH 7.4): 569.79
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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