ChemSpider 2D Image | (3beta,5xi,9xi,12beta,13xi,17xi,20R)-Dammar-24-ene-3,12,20-triol | C30H52O3

(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-Dammar-24-ene-3,12,20-triol

  • Molecular FormulaC30H52O3
  • Average mass460.732 Da
  • Monoisotopic mass460.391632 Da
  • ChemSpider ID23126148
  • defined stereocentres - 6 of 10 defined stereocentres


More details:






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

(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-Dammar-24-en-3,12,20-triol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-Dammar-24-ene-3,12,20-triol [ACD/IUPAC Name]
(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-Dammar-24-ène-3,12,20-triol [French] [ACD/IUPAC Name]
Dammar-24-ene-3,12,20-triol, (3β,5ξ,9ξ,12β,13ξ,17ξ,20R)- [ACD/Index Name]
(3S,8R,10R,12R,14R)-17-((R)-1-Hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,12-diol
CHEMBL28960

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 559.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 226.1±21.9 °C
Index of Refraction: 1.529
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 124219.05
ACD/KOC (pH 5.5): 154169.27
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 124219.05
ACD/KOC (pH 7.4): 154169.27
Polar Surface Area: 61 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 444.5±3.0 cm3

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