ChemSpider 2D Image | (3R,3aR,7aR,10R,10aR,12aR)-6-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol | C32H38O6

(3R,3aR,7aR,10R,10aR,12aR)-6-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol

  • Molecular FormulaC32H38O6
  • Average mass518.641 Da
  • Monoisotopic mass518.266846 Da
  • ChemSpider ID24719262

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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(3R,3aR,7aR,10R,10aR,12aR)-6-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol [German] [ACD/IUPAC Name]
(3R,3aR,7aR,10R,10aR,12aR)-6-[(2-Isopropenyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol [ACD/IUPAC Name]
(3R,3aR,7aR,10R,10aR,12aR)-6-[(2-Isopropényl-2,3-dihydro-1-benzofuran-5-yl)méthyl]-3,7a,10,12a-tétraméthyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromén-5-ol [French] [ACD/IUPAC Name]
4H,11H-Difuro[3,2-e:3,2-e']benzo[1,2-b:3,4-b']dipyran-5-ol, 6-[[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]methyl]-2,3,3a,7a,9,10,10a,12a-octahydro-3,7a,10,12a-tetramethyl-, (3R,3aR,7aR,10R,10aR,1 2aR)- [ACD/Index Name]
xyloketal J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19410.14
ACD/KOC (pH 5.5): 40825.58
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19103.36
ACD/KOC (pH 7.4): 40180.32
Polar Surface Area: 66 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 428.7±3.0 cm3

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