ChemSpider 2D Image | (5aR,6R,7aS,14S,14aS,14bR)-5a,6,14-Trihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione | C25H32O9

(5aR,6R,7aS,14S,14aS,14bR)-5a,6,14-Trihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione

  • Molecular FormulaC25H32O9
  • Average mass476.516 Da
  • Monoisotopic mass476.204620 Da
  • ChemSpider ID77480531

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(5aR,6R,7aS,14S,14aS,14bR)-5a,6,14-Trihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthen-3,12-dion [German] [ACD/IUPAC Name]
(5aR,6R,7aS,14S,14aS,14bR)-5a,6,14-Trihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione [ACD/IUPAC Name]
(5aR,6R,7aS,14S,14aS,14bR)-5a,6,14-Trihydroxy-13-méthoxy-5,5,7a,9,14b-pentaméthyl-1,2,5a,6,7,7a,10,14,14a,14b-décahydro-5H-furo[3,4-i]oxépino[4,3-a]xanthène-3,12-dione [French] [ACD/IUPAC Name]
5H-Furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione, 1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5a,6,14-trihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-, (5aR,6R,7aS,14S,14aS,14bR)- [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: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 244.6±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.60
ACD/KOC (pH 5.5): 225.49
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.60
ACD/KOC (pH 7.4): 225.49
Polar Surface Area: 132 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 347.1±3.0 cm3

Click to predict properties on the Chemicalize site


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