ChemSpider 2D Image | Cinncassiol C1 | C20H28O7

Cinncassiol C1

  • Molecular FormulaC20H28O7
  • Average mass380.432 Da
  • Monoisotopic mass380.183502 Da
  • ChemSpider ID30791609

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2S,5S,6R,7R,9S,10S)-2,6,9-Trihydroxy-11-[(2R)-1-hydroxy-2-propanyl]-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadec-11-en-13,15-dion [German] [ACD/IUPAC Name]
(2S,5S,6R,7R,9S,10S)-2,6,9-Trihydroxy-11-[(2R)-1-hydroxy-2-propanyl]-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadec-11-ene-13,15-dione [ACD/IUPAC Name]
(2S,5S,6R,7R,9S,10S)-2,6,9-Trihydroxy-11-[(2R)-1-hydroxy-2-propanyl]-1,5,10-triméthyl-8-oxatétracyclo[7.4.1.17,10.02,7]pentadéc-11-ène-13,15-dione [French] [ACD/IUPAC Name]
6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-4-[(1R)-2-hydroxy-1-methylethyl]-3,7,10-trimethyl-, (2S,3S,7aS,10S,11R,11aR)- [ACD/Index Name]
Cinncassiol C1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 218.3±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.47
ACD/KOC (pH 5.5): 117.46
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.47
ACD/KOC (pH 7.4): 117.39
Polar Surface Area: 124 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 268.8±5.0 cm3

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