ChemSpider 2D Image | (1S,4aR,6S,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1-yl acetate | C23H32O7

(1S,4aR,6S,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1-yl acetate

  • Molecular FormulaC23H32O7
  • Average mass420.496 Da
  • Monoisotopic mass420.214813 Da
  • ChemSpider ID30827961

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,4aR,6S,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylen-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1-yl-acetat [German] [ACD/IUPAC Name]
(1S,4aR,6S,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1-yl acetate [ACD/IUPAC Name]
Acétate de (1S,4aR,6S,6aR,10aR,11aS,11bS)-4a,6-dihydroxy-10a-méthoxy-4,4,11b-triméthyl-7-méthylène-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tétradécahydrophénanthro[3,2-b]furan-1-yle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-9(1H)-one, 1-(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-4a,6-dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-, (1S,4aR,6S,6aR,10aR,11aS,11bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 195.4±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.01
ACD/KOC (pH 5.5): 140.34
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.01
ACD/KOC (pH 7.4): 140.34
Polar Surface Area: 102 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 330.0±5.0 cm3

Click to predict properties on the Chemicalize site


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