ChemSpider 2D Image | (2aR,3R,5S,5aR,6R,6aR,6bR,7S,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyltetradecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-5-yl 3- methyl-2-butenoate | C32H44O8

(2aR,3R,5S,5aR,6R,6aR,6bR,7S,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyltetradecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-5-yl 3- methyl-2-butenoate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID30652351

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2aR,3R,5S,5aR,6R,6aR,6bR,7S,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyltetradecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-5-yl 3- methyl-2-butenoate [ACD/IUPAC Name]
(2aR,3R,5S,5aR,6R,6aR,6bR,7S,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyltetradecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-5-yl-3- methyl-2-butenoat [German] [ACD/IUPAC Name]
2H,3H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 8-(3-furanyl)tetradecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, methyl ester, (2aR,3R,5S,5aR,6R,6aR ,6bR,7S,8R,9aR,10aS,10bR,10cR)- [ACD/Index Name]
3-Méthyl-2-buténoate de (2aR,3R,5S,5aR,6R,6aR,6bR,7S,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-hydroxy-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyltétradécahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]nap hto[2,3-d]furan-5-yle [French] [ACD/IUPAC 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: 622.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1933.88
ACD/KOC (pH 5.5): 7834.72
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1933.88
ACD/KOC (pH 7.4): 7834.72
Polar Surface Area: 104 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

Click to predict properties on the Chemicalize site


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