ChemSpider 2D Image | Methyl (3beta,22beta)-3-hydroxy-11,29-dioxo-22,29-epoxyolean-12-en-27-oate | C31H44O6

Methyl (3β,22β)-3-hydroxy-11,29-dioxo-22,29-epoxyolean-12-en-27-oate

  • Molecular FormulaC31H44O6
  • Average mass512.677 Da
  • Monoisotopic mass512.313782 Da
  • ChemSpider ID169431

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,22β)-3-Hydroxy-11,29-dioxo-22,29-époxyoléan-12-én-27-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,22β)-3-hydroxy-11,29-dioxo-22,29-epoxyolean-12-en-27-oate [ACD/IUPAC Name]
Methyl-(3β,22β)-3-hydroxy-11,29-dioxo-22,29-epoxyolean-12-en-27-oat [German] [ACD/IUPAC Name]
Olean-12-en-27-oic acid, 22,29-epoxy-3-hydroxy-11,29-dioxo-, methyl ester, (3β,22β)- [ACD/Index Name]
123914-44-3 [RN]
3,22-Dihydroxy-11-oxo-δ(12)-oleanene-27-α-methoxycarbonyl-29-oic acid
glyuranolide
Olean-12-ene-27,29-dioic acid, 3,22-dihydroxy-11-oxo-, γ-lactone, methyl ester, (3β,20α,22α)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 198.0±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1137.13
ACD/KOC (pH 5.5): 5357.32
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1137.13
ACD/KOC (pH 7.4): 5357.32
Polar Surface Area: 90 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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