ChemSpider 2D Image | (3beta)-3-[(3-Carboxypropanoyl)oxy]-11-oxooleana-12,15-dien-30-oic acid | C34H48O7

(3β)-3-[(3-Carboxypropanoyl)oxy]-11-oxooleana-12,15-dien-30-oic acid

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID61715244

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-[(3-Carboxypropanoyl)oxy]-11-oxooleana-12,15-dien-30-oic acid [ACD/IUPAC Name]
(3β)-3-[(3-Carboxypropanoyl)oxy]-11-oxooleana-12,15-dien-30-säure [German] [ACD/IUPAC Name]
(3β,9β,10α,18α)-3-[(3-Carboxypropanoyl)oxy]-11-oxooleana-12,15-dien-29-oic acid [ACD/IUPAC Name]
(3β,9β,10α,18α)-3-[(3-Carboxypropanoyl)oxy]-11-oxooleana-12,15-dien-29-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(3-carboxypropanoyl)oxy]-11-oxooléana-12,15-dién-30-oïque [French] [ACD/IUPAC Name]
Acide (3β,9β,10α,18α)-3-[(3-carboxypropanoyl)oxy]-11-oxooléana-12,15-dién-29-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β)-29-hydroxy-11,29-dioxooleana-12,15-dien-3-yl] ester [ACD/Index Name]
Butanedioic acid, mono[(3β,9β,10α,18α)-29-hydroxy-11,29-dioxooleana-12,15-dien-3-yl] ester [ACD/Index Name]
CBO

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 214.2±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 625.24
ACD/KOC (pH 5.5): 913.68
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 118 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 468.8±5.0 cm3

Click to predict properties on the Chemicalize site


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