ChemSpider 2D Image | (9R,11bR)-5,7,11-Trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1,3,4,8,9,11b-hexahydrophenanthro[3,2-b]furan-6(2H)-one | C20H24O6

(9R,11bR)-5,7,11-Trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1,3,4,8,9,11b-hexahydrophenanthro[3,2-b]furan-6(2H)-one

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID26368686

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,11bR)-5,7,11-Trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1,3,4,8,9,11b-hexahydrophenanthro[3,2-b]furan-6(2H)-on [German] [ACD/IUPAC Name]
(9R,11bR)-5,7,11-Trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1,3,4,8,9,11b-hexahydrophenanthro[3,2-b]furan-6(2H)-one [ACD/IUPAC Name]
(9R,11bR)-5,7,11-Trihydroxy-9-(hydroxyméthyl)-4,4,11b-triméthyl-1,3,4,8,9,11b-hexahydrophénanthro[3,2-b]furan-6(2H)-one [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-6(2H)-one, 1,3,4,8,9,11b-hexahydro-5,7,11-trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-, (9R,11bR)- [ACD/Index Name]
[160927-81-1] [RN]
160927-81-1 [RN]
MFCD20260541
Villosin C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 231.0±25.0 °C
Index of Refraction: 1.673
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.73
ACD/KOC (pH 5.5): 1644.75
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 173.18
ACD/KOC (pH 7.4): 1302.25
Polar Surface Area: 107 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 247.6±5.0 cm3

Click to predict properties on the Chemicalize site


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