Found 1 result

Search term: 78440341 (Found by CSID)
ChemSpider 2D Image | (4aS,6aR,12bR)-4a-Hydroxy-12b-(hydroxymethyl)-4,4,6a-trimethyl-9-[(1E,3E)-1,3-pentadien-1-yl]-1,4a,5,6,6a,12b-hexahydro-2H,11H-benzo[f]pyrano[2,3-b]chromene-3,11(4H)-dione | C25H30O6

(4aS,6aR,12bR)-4a-Hydroxy-12b-(hydroxymethyl)-4,4,6a-trimethyl-9-[(1E,3E)-1,3-pentadien-1-yl]-1,4a,5,6,6a,12b-hexahydro-2H,11H-benzo[f]pyrano[2,3-b]chromene-3,11(4H)-dione

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID78440341

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,6aR,12bR)-4a-Hydroxy-12b-(hydroxymethyl)-4,4,6a-trimethyl-9-[(1E,3E)-1,3-pentadien-1-yl]-1,4a,5,6,6a,12b-hexahydro-2H,11H-benzo[f]pyrano[2,3-b]chromen-3,11(4H)-dion [German] [ACD/IUPAC Name]
(4aS,6aR,12bR)-4a-Hydroxy-12b-(hydroxymethyl)-4,4,6a-trimethyl-9-[(1E,3E)-1,3-pentadien-1-yl]-1,4a,5,6,6a,12b-hexahydro-2H,11H-benzo[f]pyrano[2,3-b]chromene-3,11(4H)-dione [ACD/IUPAC Name]
(4aS,6aR,12bR)-4a-Hydroxy-12b-(hydroxyméthyl)-4,4,6a-triméthyl-9-[(1E,3E)-1,3-pentadién-1-yl]-1,4a,5,6,6a,12b-hexahydro-2H,11H-benzo[f]pyrano[2,3-b]chromène-3,11(4H)-dione [French] [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,2-e]pyran-3,11(4H)-dione, 1,4a,5,6,6a,12b-hexahydro-4a-hydroxy-12b-(hydroxymethyl)-4,4,6a-trimethyl-9-[(1E,3E)-1,3-pentadien-1-yl]-, (4aS,6aR,12bR)- [ACD/Index Name]
Hesseltin D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 223.3±25.0 °C
Index of Refraction: 1.611
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.59
ACD/KOC (pH 5.5): 625.46
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.59
ACD/KOC (pH 7.4): 625.46
Polar Surface Area: 93 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 331.5±5.0 cm3

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