ChemSpider 2D Image | (1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-{2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2R)-2-methylbutanoate | C24H34O4

(1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-{2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2R)-2-methylbutanoate

  • Molecular FormulaC24H34O4
  • Average mass386.524 Da
  • Monoisotopic mass386.245697 Da
  • ChemSpider ID78437212

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-{2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2R)-2-methylbutanoate [ACD/IUPAC Name]
(1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-{2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydro-1-naphthalinyl-(2R)-2-methylbutanoat [German] [ACD/IUPAC Name]
(2R)-2-Méthylbutanoate de (1S,3R,7S,8S,8aR)-3,7-diméthyl-8-{2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]éthyl}-1,2,3,7,8,8a-hexahydro-1-naphtalényle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester, (2R)- [ACD/Index Name]
Dehydromonacolin K

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.5±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: 263.6±28.5 °C
Index of Refraction: 1.531
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11454.75
ACD/KOC (pH 5.5): 27990.49
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11454.75
ACD/KOC (pH 7.4): 27990.49
Polar Surface Area: 53 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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