ChemSpider 2D Image | [(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate | C25H36O8

[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID29814401

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate [ACD/IUPAC Name]
[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(4R,5S,6R,6aS,7R,10aR,11bR)-5-acétoxy-6-hydroxy-10a-méthoxy-4,7,11b-triméthyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tétradécahydrophénanthro[3,2-b]furan-4-yl]méthyle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-9(1H)-one, 5-(acetyloxy)-4-[(acetyloxy)methyl]-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-, (4R,5S,6R,6aS,7R,10aR,11bR)- [ACD/Index Name]
[(4R,5S,6R,6aS,7R,10aR,11bR)-5-acetyloxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate
799269-22-0 [RN]
Chagreslactone
CID 56776357

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 188.2±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.69
ACD/KOC (pH 5.5): 458.69
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.69
ACD/KOC (pH 7.4): 458.69
Polar Surface Area: 108 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


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