ChemSpider 2D Image | (2R,7aS,9aR,13aS,13bS)-5-Hydroxy-2,7a,10,10,13a-pentamethyl-1,8,9,9a,10,13a,13b,14-octahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione | C25H30O5

(2R,7aS,9aR,13aS,13bS)-5-Hydroxy-2,7a,10,10,13a-pentamethyl-1,8,9,9a,10,13a,13b,14-octahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione

  • Molecular FormulaC25H30O5
  • Average mass410.503 Da
  • Monoisotopic mass410.209320 Da
  • ChemSpider ID35517097

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,7aS,9aR,13aS,13bS)-5-Hydroxy-2,7a,10,10,13a-pentamethyl-1,8,9,9a,10,13a,13b,14-octahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthen-4,11(7aH)-dion [German] [ACD/IUPAC Name]
(2R,7aS,9aR,13aS,13bS)-5-Hydroxy-2,7a,10,10,13a-pentamethyl-1,8,9,9a,10,13a,13b,14-octahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione [ACD/IUPAC Name]
(2R,7aS,9aR,13aS,13bS)-5-Hydroxy-2,7a,10,10,13a-pentaméthyl-1,8,9,9a,10,13a,13b,14-octahydro-2H,4H-benzo[a]pyrano[3,4-j]xanthène-4,11(7aH)-dione [French] [ACD/IUPAC Name]
2H,4H-Benzo[a]pyrano[3,4-j]xanthene-4,11(7aH)-dione, 1,8,9,9a,10,13a,13b,14-octahydro-5-hydroxy-2,7a,10,10,13a-pentamethyl-, (2R,7aS,9aR,13aS,13bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 211.0±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7289.16
ACD/KOC (pH 5.5): 20252.87
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7248.21
ACD/KOC (pH 7.4): 20139.10
Polar Surface Area: 73 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

Click to predict properties on the Chemicalize site


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