ChemSpider 2D Image | 7-(Hydroxymethyl)-2,5a,11,11,13a-pentamethyl-3a,5a,6,8,12,13a,13b,13c-octahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-1,5,9,13(2H,11H)-tetrone | C24H28O8

7-(Hydroxymethyl)-2,5a,11,11,13a-pentamethyl-3a,5a,6,8,12,13a,13b,13c-octahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-1,5,9,13(2H,11H)-tetrone

  • Molecular FormulaC24H28O8
  • Average mass444.474 Da
  • Monoisotopic mass444.178406 Da
  • ChemSpider ID22369791

More details:

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

7-(Hydroxymethyl)-2,5a,11,11,13a-pentamethyl-3a,5a,6,8,12,13a,13b,13c-octahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromen-1,5,9,13(2H,11H)-tetron [German] [ACD/IUPAC Name]
7-(Hydroxymethyl)-2,5a,11,11,13a-pentamethyl-3a,5a,6,8,12,13a,13b,13c-octahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromene-1,5,9,13(2H,11H)-tetrone [ACD/IUPAC Name]
7-(Hydroxyméthyl)-2,5a,11,11,13a-pentaméthyl-3a,5a,6,8,12,13a,13b,13c-octahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromène-1,5,9,13(2H,11H)-tétrone [French] [ACD/IUPAC Name]
Furo[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f][2]benzopyran-1,5,9,13(2H,11H)-tetrone, 3a,5a,6,8,12,13a,13b,13c-octahydro-7-(hydroxymethyl)-2,5a,11,11,13a-pentamethyl- [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: 706.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 244.6±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 71.96
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 71.96
Polar Surface Area: 116 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 321.0±5.0 cm3

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