Found 1 result

Search term: 128435440 (Found by CSID)
ChemSpider 2D Image | (3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-3,4,4a,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione | C27H32O8

(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-3,4,4a,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione

  • Molecular FormulaC27H32O8
  • Average mass484.538 Da
  • Monoisotopic mass484.209717 Da
  • ChemSpider ID128435440

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-3,4,4a,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-1,11(5H)-dion [German] [ACD/IUPAC Name]
(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-3,4,4a,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione [ACD/IUPAC Name]
(3R,4aR,6aR,12aS,12bS)-3,4a,12a-Trihydroxy-9-(4-méthoxyphényl)-4,4,6a,12b-tétraméthyl-3,4,4a,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromène-1,11(5H)-dione [French] [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione, 3,4,4a,6,6a,12,12a,12b-octahydro-3,4a,12a-trihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-, (3R,4aR,6aR,12aS,12bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 227.2±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.99
ACD/KOC (pH 5.5): 604.81
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.99
ACD/KOC (pH 7.4): 604.79
Polar Surface Area: 123 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 349.5±5.0 cm3

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