ChemSpider 2D Image | (4aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione | C28H32O9

(4aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID58818336

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromen-1,11(5H)-dion [German] [ACD/IUPAC Name]
(4aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione [ACD/IUPAC Name]
(4aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-diméthoxyphényl)-4,4,6a,12b-tétraméthyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromène-1,11(5H)-dione [French] [ACD/IUPAC Name]
4H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-, (4aR,12aS,12bS)- [ACD/Index Name]
(5AR,7AR,11AS,11BS)-7A,11B-DIHYDROXY-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5A,8,8,11A-TETRAMETHYL-1,5A,6,7,7A,8,11,11A,11B,12-DECAHYDRO-2,5-DIOXATETRAPHENE-1,11-DIONE
(5AR,7AR,11AS,11BS)-7A,11B-DIHYDROXY-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5A,8,8,11A-TETRAMETHYL-7,12-DIHYDRO-6H-2,5-DIOXATETRAPHENE-1,11-DIONE
89020-33-7 [RN]
territrem C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 236.9±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.90
ACD/KOC (pH 5.5): 793.51
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.75
ACD/KOC (pH 7.4): 791.96
Polar Surface Area: 132 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 363.3±5.0 cm3

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