ChemSpider 2D Image | Cinncassiol A | C20H30O7

Cinncassiol A

  • Molecular FormulaC20H30O7
  • Average mass382.448 Da
  • Monoisotopic mass382.199158 Da
  • ChemSpider ID30791608

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-Tetrahydroxy-4-(1-hydroxy-2-propanyl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-on [German] [ACD/IUPAC Name]
(1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-Tetrahydroxy-4-(1-hydroxy-2-propanyl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one [ACD/IUPAC Name]
(1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-Tétrahydroxy-4-(1-hydroxy-2-propanyl)-3,7,11-triméthyl-13-oxatétracyclo[5.5.3.01,8.02,6]pentadéc-3-én-14-one [French] [ACD/IUPAC Name]
1H-3b,8-(Epoxyethano)cyclopent[a]inden-10-one, 3a,4,5,6,7,7a,8,8a-octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl-, (3aR,3bR,4R,5S,7aS,8R,8aR)- [ACD/Index Name]
Cinncassiol A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 210.5±23.6 °C
Index of Refraction: 1.628
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.32
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.32
Polar Surface Area: 127 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 269.1±5.0 cm3

Click to predict properties on the Chemicalize site


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