ChemSpider 2D Image | (3aS,5aS,10aS)-1-[(2R)-1-Hydroxy-2-propanyl]-3a,5a-dimethyl-6-oxo-2,3,3a,4,5,5a,6,7,10,10a-decahydrocyclohepta[e]indene-8-carbaldehyde | C20H28O3

(3aS,5aS,10aS)-1-[(2R)-1-Hydroxy-2-propanyl]-3a,5a-dimethyl-6-oxo-2,3,3a,4,5,5a,6,7,10,10a-decahydrocyclohepta[e]indene-8-carbaldehyde

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID78437105

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,5aS,10aS)-1-[(2R)-1-Hydroxy-2-propanyl]-3a,5a-dimethyl-6-oxo-2,3,3a,4,5,5a,6,7,10,10a-decahydrocyclohepta[e]inden-8-carbaldehyd [German] [ACD/IUPAC Name]
(3aS,5aS,10aS)-1-[(2R)-1-Hydroxy-2-propanyl]-3a,5a-dimethyl-6-oxo-2,3,3a,4,5,5a,6,7,10,10a-decahydrocyclohepta[e]indene-8-carbaldehyde [ACD/IUPAC Name]
(3aS,5aS,10aS)-1-[(2R)-1-Hydroxy-2-propanyl]-3a,5a-diméthyl-6-oxo-2,3,3a,4,5,5a,6,7,10,10a-décahydrocyclohepta[e]indène-8-carbaldéhyde [French] [ACD/IUPAC Name]
Cyclohept[e]indene-8-carboxaldehyde, 2,3,3a,4,5,5a,6,7,10,10a-decahydro-1-[(1R)-2-hydroxy-1-methylethyl]-3a,5a-dimethyl-6-oxo-, (3aS,5aS,10aS)- [ACD/Index Name]
Sarcodonin G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 252.4±25.2 °C
Index of Refraction: 1.551
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.60
ACD/KOC (pH 5.5): 1629.42
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.60
ACD/KOC (pH 7.4): 1629.42
Polar Surface Area: 54 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 280.9±5.0 cm3

Click to predict properties on the Chemicalize site


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