ChemSpider 2D Image | (1S,3R,7R,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (3R)-3-hydroxybutanoate | C23H34O6

(1S,3R,7R,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (3R)-3-hydroxybutanoate

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID78443002

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,7R,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (3R)-3-hydroxybutanoate [ACD/IUPAC Name]
(1S,3R,7R,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalinyl-(3R)-3-hydroxybutanoat [German] [ACD/IUPAC Name]
(3R)-3-Hydroxybutanoate de (1S,3R,7R,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-3,7-diméthyl-1,2,3,7,8,8a-hexahydro-1-naphtalényle [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-, (1S,3R,7R,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (3R)- [ACD/Index Name]
Monacolin M

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 208.6±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.49
ACD/KOC (pH 5.5): 616.77
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.49
ACD/KOC (pH 7.4): 616.77
Polar Surface Area: 93 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 341.8±5.0 cm3

Click to predict properties on the Chemicalize site


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