ChemSpider 2D Image | GLABROLIDE | C30H44O4

GLABROLIDE

  • Molecular FormulaC30H44O4
  • Average mass468.668 Da
  • Monoisotopic mass468.323975 Da
  • ChemSpider ID34986255

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,22β)-3-Hydroxy-22,29-epoxyolean-12-en-11,29-dion [German] [ACD/IUPAC Name]
(3β,22β)-3-Hydroxy-22,29-epoxyolean-12-ene-11,29-dione [ACD/IUPAC Name]
(3β,22β)-3-Hydroxy-22,29-époxyoléan-12-ène-11,29-dione [French] [ACD/IUPAC Name]
10401-33-9 [RN]
GLABROLIDE
Olean-12-en-29-oic acid, 3,22-dihydroxy-11-oxo-, γ-lactone, (3β,20β,22β)-
Olean-12-ene-11,29-dione, 22,29-epoxy-3-hydroxy-, (3β,22β)- [ACD/Index Name]
3β,22β-Dihydroxy-11-oxoolean-12-en-30-oic acid γ-lactone

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

0WEA004YF1 [DBID]
UNII:0WEA004YF1 [DBID]
UNII-0WEA004YF1 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 188.5±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4344.82
ACD/KOC (pH 5.5): 13984.70
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4344.82
ACD/KOC (pH 7.4): 13984.70
Polar Surface Area: 64 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 402.2±5.0 cm3

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