ChemSpider 2D Image | [(1S,9aS,9bR)-5-Hydroxy-1-isopropoxy-9b-methyl-9-oxo-1,9,9a,9b-tetrahydrocyclopenta[6,7]naphtho[1,8-bc]furan-7-yl]methyl acetate | C21H22O6

[(1S,9aS,9bR)-5-Hydroxy-1-isopropoxy-9b-methyl-9-oxo-1,9,9a,9b-tetrahydrocyclopenta[6,7]naphtho[1,8-bc]furan-7-yl]methyl acetate

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID78437688

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,9aS,9bR)-5-Hydroxy-1-isopropoxy-9b-methyl-9-oxo-1,9,9a,9b-tetrahydrocyclopenta[6,7]naphtho[1,8-bc]furan-7-yl]methyl acetate [ACD/IUPAC Name]
[(1S,9aS,9bR)-5-Hydroxy-1-isopropoxy-9b-methyl-9-oxo-1,9,9a,9b-tetrahydrocyclopenta[6,7]naphtho[1,8-bc]furan-7-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(1S,9aS,9bR)-5-hydroxy-1-isopropoxy-9b-méthyl-9-oxo-1,9,9a,9b-tétrahydrocyclopenta[6,7]naphto[1,8-bc]furan-7-yl]méthyle [French] [ACD/IUPAC Name]
Cyclopenta[6,7]naphtho[1,8-bc]furan-9(1H)-one, 7-[(acetyloxy)methyl]-9a,9b-dihydro-5-hydroxy-9b-methyl-1-(1-methylethoxy)-, (1S,9aS,9bR)- [ACD/Index Name]
Fomitellanol B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 186.2±23.6 °C
Index of Refraction: 1.616
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.90
ACD/KOC (pH 5.5): 666.95
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.55
ACD/KOC (pH 7.4): 663.14
Polar Surface Area: 82 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 275.9±5.0 cm3

Click to predict properties on the Chemicalize site


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