ChemSpider 2D Image | (6beta,9beta,13beta)-13-Hydroxy-13-[(1R,2R)-2-hydroxy-4-methyl-5-oxo-3-cyclohexen-1-yl]-8-methylpodocarpan-6-yl acetate | C27H42O5

(6β,9β,13β)-13-Hydroxy-13-[(1R,2R)-2-hydroxy-4-methyl-5-oxo-3-cyclohexen-1-yl]-8-methylpodocarpan-6-yl acetate

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID23339496

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6β,9β,13β)-13-Hydroxy-13-[(1R,2R)-2-hydroxy-4-methyl-5-oxo-3-cyclohexen-1-yl]-8-methylpodocarpan-6-yl acetate [ACD/IUPAC Name]
(6β,9β,13β)-13-Hydroxy-13-[(1R,2R)-2-hydroxy-4-methyl-5-oxo-3-cyclohexen-1-yl]-8-methylpodocarpan-6-yl-acetat [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-[(2R,4aR,4bR,8aS,9R,10aS)-9-(acetyloxy)tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]-4-hydroxy-2-methyl-, (4R,5R)- [ACD/Index Name]
Acétate de (6β,9β,13β)-13-hydroxy-13-[(1R,2R)-2-hydroxy-4-méthyl-5-oxo-3-cyclohexén-1-yl]-8-méthylpodocarpan-6-yle [French] [ACD/IUPAC Name]
(6β,9β,13β)-13-hydroxy-13-[(1R,2R)-2-hydroxy-4-methyl-5-oxocyclohex-3-en-1-yl]-8-methylpodocarpan-6-yl acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468042/
Suberitenone D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 177.4±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3454.58
ACD/KOC (pH 5.5): 11868.01
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3454.58
ACD/KOC (pH 7.4): 11868.00
Polar Surface Area: 84 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 388.0±5.0 cm3

Click to predict properties on the Chemicalize site


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