ChemSpider 2D Image | (3beta,16alpha,21beta,22alpha)-16,21,22,24,28-Pentamethoxyolean-12-en-3-ol | C35H60O6

(3β,16α,21β,22α)-16,21,22,24,28-Pentamethoxyolean-12-en-3-ol

  • Molecular FormulaC35H60O6
  • Average mass576.847 Da
  • Monoisotopic mass576.438965 Da
  • ChemSpider ID8992300

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,16α,21β,22α)-16,21,22,24,28-Pentamethoxyolean-12-en-3-ol [ACD/IUPAC Name]
(3β,16α,21β,22α)-16,21,22,24,28-Pentamethoxyolean-12-en-3-ol [German] [ACD/IUPAC Name]
(3β,16α,21β,22α)-16,21,22,24,28-Pentaméthoxyoléan-12-én-3-ol [French] [ACD/IUPAC Name]
Olean-12-en-3-ol, 16,21,22,24,28-pentamethoxy-, (3β,16α,21β,22α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 83502.51
ACD/KOC (pH 5.5): 116019.84
ACD/LogD (pH 7.4): 6.78
ACD/BCF (pH 7.4): 83502.51
ACD/KOC (pH 7.4): 116019.84
Polar Surface Area: 66 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 532.9±5.0 cm3

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