ChemSpider 2D Image | (6beta,9beta)-13-(3-Hydroxy-4-methylphenyl)-8-methylpodocarp-12-en-6-yl acetate | C27H38O3

(6β,9β)-13-(3-Hydroxy-4-methylphenyl)-8-methylpodocarp-12-en-6-yl acetate

  • Molecular FormulaC27H38O3
  • Average mass410.589 Da
  • Monoisotopic mass410.282104 Da
  • ChemSpider ID23339497

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6β,9β)-13-(3-Hydroxy-4-methylphenyl)-8-methylpodocarp-12-en-6-yl acetate [ACD/IUPAC Name]
(6β,9β)-13-(3-Hydroxy-4-methylphenyl)-8-methylpodocarp-12-en-6-yl-acetat [German] [ACD/IUPAC Name]
9-Phenanthrenol, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2-(3-hydroxy-4-methylphenyl)-4b,8,8,10a-tetramethyl-, 9-acetate, (4aR,4bR,8aS,9R,10aR)- [ACD/Index Name]
Acétate de (6β,9β)-13-(3-hydroxy-4-méthylphényl)-8-méthylpodocarp-12-én-6-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467207/
suberiphenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 191.4±22.9 °C
Index of Refraction: 1.563
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.44
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 419209.66
ACD/KOC (pH 5.5): 368219.50
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 418694.47
ACD/KOC (pH 7.4): 367767.00
Polar Surface Area: 47 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 371.9±5.0 cm3

Click to predict properties on the Chemicalize site


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