ChemSpider 2D Image | (2aR,3R,5S,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-Hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-(2-oxo-2,5-dihydro-3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo [2',3',4':4,5]naphtho[2,3-d]furan-5-yl (2E)-2-methyl-2-butenoate | C32H42O9

(2aR,3R,5S,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-Hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-(2-oxo-2,5-dihydro-3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo [2',3',4':4,5]naphtho[2,3-d]furan-5-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID31146324

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2aR,3R,5S,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-Hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-(2-oxo-2,5-dihydro-3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo [2',3',4':4,5]naphtho[2,3-d]furan-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2aR,3R,5S,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-Hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-(2-oxo-2,5-dihydro-3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo [2',3',4':4,5]naphtho[2,3-d]furan-5-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (2aR,3R,5S,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-hydroxy-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyl-8-(2-oxo-2,5-dihydro-3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodéca hydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphto[2,3-d]furan-5-yle [French] [ACD/IUPAC Name]
2H,3H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 8-(2,5-dihydro-2-oxo-3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo- 2-buten-1-yl]oxy]-, methyl ester, (2aR,3R,5S,6R,6aR,8R,9aR,10aS,10bR,10cR)- [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: 685.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 216.4±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.65
ACD/KOC (pH 5.5): 1618.84
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.65
ACD/KOC (pH 7.4): 1618.84
Polar Surface Area: 118 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 441.7±5.0 cm3

Click to predict properties on the Chemicalize site


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