ChemSpider 2D Image | (1R,9R)-4-Acetyl-5-hydroxy-6-isopropyl-12,12-dimethyl-17-oxatetracyclo[7.6.2.0~1,11~.0~2,8~]heptadeca-2(8),4,6-triene-3,10,16-trione | C23H26O6

(1R,9R)-4-Acetyl-5-hydroxy-6-isopropyl-12,12-dimethyl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-triene-3,10,16-trione

  • Molecular FormulaC23H26O6
  • Average mass398.449 Da
  • Monoisotopic mass398.172943 Da
  • ChemSpider ID30651700

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,9R)-4-Acetyl-5-hydroxy-6-isopropyl-12,12-dimethyl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-trien-3,10,16-trion [German] [ACD/IUPAC Name]
(1R,9R)-4-Acetyl-5-hydroxy-6-isopropyl-12,12-dimethyl-17-oxatetracyclo[7.6.2.01,11.02,8]heptadeca-2(8),4,6-triene-3,10,16-trione [ACD/IUPAC Name]
(1R,9R)-4-Acétyl-5-hydroxy-6-isopropyl-12,12-diméthyl-17-oxatétracyclo[7.6.2.01,11.02,8]heptadéca-2(8),4,6-triène-3,10,16-trione [French] [ACD/IUPAC Name]
6,11b-(Epoxymethano)-11bH-cyclohepta[a]naphthalene-5,11,12(1H,6H)-trione, 10-acetyl-2,3,4,4a-tetrahydro-9-hydroxy-4,4-dimethyl-8-(1-methylethyl)-, (6R,11bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 234.1±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 94.35
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 98 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

Click to predict properties on the Chemicalize site


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