ChemSpider 2D Image | Oridonin | C20H28O6

Oridonin

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID23326877

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,5β,6β,7α,8α,9β,10α,13α,14R)-1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1α,5β,6β,7α,8α,9β,10α,13α,14R)-1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-one [ACD/IUPAC Name]
(1α,5β,6β,7α,8α,9β,10α,13α,14R)-1,6,7,14-Tétrahydroxy-7,20-époxykaur-16-én-15-one [French] [ACD/IUPAC Name]
Oridonin
(1S,2S,5S,8R,9R,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
28957-04-2 [RN]
Compound NP-024372
Ent-Oridonin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454570/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 215.0±23.6 °C
Index of Refraction: 1.635
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.82
ACD/KOC (pH 5.5): 165.41
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.82
ACD/KOC (pH 7.4): 165.37
Polar Surface Area: 107 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 256.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement