ChemSpider 2D Image | (3beta,5xi,7beta,15alpha)-3,7,15,20-Tetrahydroxy-11,23-dioxolanosta-8,16-dien-26-oic acid | C30H44O8

(3β,5ξ,7β,15α)-3,7,15,20-Tetrahydroxy-11,23-dioxolanosta-8,16-dien-26-oic acid

  • Molecular FormulaC30H44O8
  • Average mass532.666 Da
  • Monoisotopic mass532.303589 Da
  • ChemSpider ID78442400

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5ξ,7β,15α)-3,7,15,20-Tetrahydroxy-11,23-dioxolanosta-8,16-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,7β,15α)-3,7,15,20-Tetrahydroxy-11,23-dioxolanosta-8,16-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,7β,15α)-3,7,15,20-tétrahydroxy-11,23-dioxolanosta-8,16-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,16-dien-26-oic acid, 3,7,15,20-tetrahydroxy-11,23-dioxo-, (3β,5ξ,7β,15α)- [ACD/Index Name]
Resinacein J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 416.6±29.4 °C
Index of Refraction: 1.594
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 10.59
ACD/KOC (pH 5.5): 114.56
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.86
Polar Surface Area: 152 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 412.2±5.0 cm3

Click to predict properties on the Chemicalize site


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