ChemSpider 2D Image | (4aS,5R,6R,6aR,7S,11aS)-5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylic acid | C20H28O5

(4aS,5R,6R,6aR,7S,11aS)-5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylic acid

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID58817179

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(4aS,5R,6R,6aR,7S,11aS)-5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carbonsäure [German] [ACD/IUPAC Name]
(4aS,5R,6R,6aR,7S,11aS)-5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylic acid [ACD/IUPAC Name]
Acide (4aS,5R,6R,6aR,7S,11aS)-5,6-dihydroxy-4,4,11b-triméthyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodécahydrophénanthro[3,2-b]furane-7-carboxylique [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-7-carboxylic acid, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-5,6-dihydroxy-4,4,11b-trimethyl-, (4aS,5R,6R,6aR,7S,11aS)- [ACD/Index Name]
40819-81-6 [RN]
Vouacapan

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 259.1±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 12.04
ACD/KOC (pH 5.5): 68.51
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 91 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 282.4±3.0 cm3

Click to predict properties on the Chemicalize site


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