ChemSpider 2D Image | triptotritepenonic acid A | C30H46O4

triptotritepenonic acid A

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID32801476

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(18α,22α)-22-Hydroxy-3-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(18α,22α)-22-Hydroxy-3-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (18α,22α)-22-hydroxy-3-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 22-hydroxy-3-oxo-, (18α,22α)- [ACD/Index Name]
triptotritepenonic acid A
144629-85-6 [RN]
3-Oxo-22-hydroxy-olean-12-en-29-oic acid
3-Oxo-22α-hydroxy-δ(12)-oleanen-29-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 320.1±26.6 °C
Index of Refraction: 1.563
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 9597.57
ACD/KOC (pH 5.5): 13377.77
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 150.94
ACD/KOC (pH 7.4): 210.39
Polar Surface Area: 75 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 411.7±5.0 cm3

Click to predict properties on the Chemicalize site


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