ChemSpider 2D Image | (3S,4aR,6aR,12R,12aS,12bS)-12-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-9-phenyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-3-yl acetate | C28H34O6

(3S,4aR,6aR,12R,12aS,12bS)-12-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-9-phenyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-3-yl acetate

  • Molecular FormulaC28H34O6
  • Average mass466.566 Da
  • Monoisotopic mass466.235535 Da
  • ChemSpider ID44210861

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,4aR,6aR,12R,12aS,12bS)-12-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-9-phenyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-3-yl acetate [ACD/IUPAC Name]
(3S,4aR,6aR,12R,12aS,12bS)-12-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-9-phenyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-3-yl-acetat [German] [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3-(acetyloxy)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,4,6a,12b-tetramethyl-9-phenyl-, (3S,4aR,6aR,12R,12aS,12bS)- [ACD/Index Name]
Acétate de (3S,4aR,6aR,12R,12aS,12bS)-12-hydroxy-4,4,6a,12b-tétraméthyl-11-oxo-9-phényl-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H,11H-benzo[f]pyrano[4,3-b]chromén-3-yle [French] [ACD/IUPAC Name]
Phenylpyropene F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 194.7±23.6 °C
Index of Refraction: 1.594
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6041.98
ACD/KOC (pH 5.5): 17707.61
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6041.87
ACD/KOC (pH 7.4): 17707.28
Polar Surface Area: 82 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

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