ChemSpider 2D Image | Methyl (3beta,7beta,12beta)-12-acetoxy-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oate | C33H48O9

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

  • Molecular FormulaC33H48O9
  • Average mass588.729 Da
  • Monoisotopic mass588.329834 Da
  • ChemSpider ID28649468

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,7β,12β)-12-Acétoxy-3,7-dihydroxy-11,15,23-trioxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3,7-dihydroxy-11,15,23-trioxo-, methyl ester, (3β,7β,12β)- [ACD/Index Name]
Methyl (3β,7β,12β)-12-acetoxy-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,7β,12β)-12-acetoxy-3,7-dihydroxy-11,15,23-trioxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
3β,7β-dihydroxy-12β-acetoxy-11,15,23-trioxo-5α-lanost-8-en-26-oic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.8±6.0 kJ/mol
Flash Point: 214.6±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.21
ACD/KOC (pH 5.5): 880.24
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.21
ACD/KOC (pH 7.4): 880.24
Polar Surface Area: 144 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 481.7±5.0 cm3

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