ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-ene-3,16-dione | C30H48O6

(8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-ene-3,16-dione

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID8159204

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3,16-dion [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-ene-3,16-dione [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11,23,24,25-Tétrahydroxydammar-13(17)-ène-3,16-dione [French] [ACD/IUPAC Name]
Dammar-13(17)-ene-3,16-dione, 11,23,24,25-tetrahydroxy-, (8α,9β,11β,14β,23S,24R)- [ACD/Index Name]
(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
(8?,?9?,?11?,?14?,?23S,?24R)?-11,?23,?24,?25-?tetrahydroxy-?Dammar-?13(17)?-?ene-?3,?16-?dione
124515-98-6 [RN]
16-Oxoalisol A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4518138/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 370.8±28.0 °C
Index of Refraction: 1.564
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.71
ACD/KOC (pH 5.5): 718.68
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.71
ACD/KOC (pH 7.4): 718.68
Polar Surface Area: 115 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 425.6±5.0 cm3

Click to predict properties on the Chemicalize site


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