ChemSpider 2D Image | (3bR,5aR,6S,7R,8S,9aR,9bR)-6-(Hydroxymethyl)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-7,8-diol | C20H30O4

(3bR,5aR,6S,7R,8S,9aR,9bR)-6-(Hydroxymethyl)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-7,8-diol

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID35516880

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3bR,5aR,6S,7R,8S,9aR,9bR)-6-(Hydroxymethyl)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-7,8-diol [German] [ACD/IUPAC Name]
(3bR,5aR,6S,7R,8S,9aR,9bR)-6-(Hydroxymethyl)-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-7,8-diol [ACD/IUPAC Name]
(3bR,5aR,6S,7R,8S,9aR,9bR)-6-(Hydroxyméthyl)-3b,6,9a-triméthyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodécahydrophénanthro[1,2-c]furane-7,8-diol [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-7,8-diol, 3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydro-6-(hydroxymethyl)-3b,6,9a-trimethyl-, (3bR,5aR,6S,7R,8S,9aR,9bR)- [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: 456.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.7±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.47
ACD/KOC (pH 5.5): 1468.63
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.47
ACD/KOC (pH 7.4): 1468.63
Polar Surface Area: 74 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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