ChemSpider 2D Image | (4aR,6aS,8S,8aR,8bS,9aR,12R,12aR,14aS,14bS)-12-(3-Furyl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,7,10(8H,9aH)-trione | C26H30O9

(4aR,6aS,8S,8aR,8bS,9aR,12R,12aR,14aS,14bS)-12-(3-Furyl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,7,10(8H,9aH)-trione

  • Molecular FormulaC26H30O9
  • Average mass486.511 Da
  • Monoisotopic mass486.188995 Da
  • ChemSpider ID82965739

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4aR,6aS,8S,8aR,8bS,9aR,12R,12aR,14aS,14bS)-12-(3-Furyl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-3,7,10(8H,9aH)-trion [German] [ACD/IUPAC Name]
(4aR,6aS,8S,8aR,8bS,9aR,12R,12aR,14aS,14bS)-12-(3-Furyl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,7,10(8H,9aH)-trione [ACD/IUPAC Name]
(4aR,6aS,8S,8aR,8bS,9aR,12R,12aR,14aS,14bS)-12-(3-Furyl)-8-hydroxy-6,6,8a,12a-tétraméthyldécahydro-3H-oxiréno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromène-3,7,10(8H,9aH)-trione [French] [ACD/IUPAC Name]
1H,3H-Oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,7,10(8H,9aH)-trione, 12-(3-furanyl)decahydro-8-hydroxy-6,6,8a,12a-tetramethyl-, (4aR,6aS,8S,8aR,8bS,9aR,12R,12aR,14aS,14bS)- [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: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.54
ACD/KOC (pH 5.5): 67.74
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 67.73
Polar Surface Area: 125 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 336.1±5.0 cm3

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