ChemSpider 2D Image | (5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl acetate | C17H24O5

(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl acetate

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID23314447

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl acetate [ACD/IUPAC Name]
(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-triméthyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furan-5-yle [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-3(1H)-one, 5-(acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-9b-hydroxy-6,6,9a-trimethyl-, (5R,5aS,9aS,9bS)- [ACD/Index Name]
23599-46-4 [RN]
cinnamosmolide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402739/
NSC-277292

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 164.1±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.74
ACD/KOC (pH 5.5): 711.46
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.74
ACD/KOC (pH 7.4): 711.43
Polar Surface Area: 73 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 251.6±5.0 cm3

Click to predict properties on the Chemicalize site


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