ChemSpider 2D Image | Methyl [(2aR,3R,5S,5aR,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3,5-dimethoxy-2a,5a,6a,7-tetramethyl-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]fura n-6-yl]acetate | C29H40O7

Methyl [(2aR,3R,5S,5aR,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3,5-dimethoxy-2a,5a,6a,7-tetramethyl-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]fura n-6-yl]acetate

  • Molecular FormulaC29H40O7
  • Average mass500.624 Da
  • Monoisotopic mass500.277405 Da
  • ChemSpider ID156668

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

[(2aR,3R,5S,5aR,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3,5-diméthoxy-2a,5a,6a,7-tétraméthyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphto[2,3-d]furan-6-yl]a cétate de méthyle [French] [ACD/IUPAC Name]
2H,3H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3,5-dimethoxy-2a,5a,6a,7-tetramethyl-, methyl ester, (2aR,3R,5S,5aR,6aR,8R, 9aR,10aS,10bR,10cR)- [ACD/Index Name]
Methyl [(2aR,3R,5S,5aR,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3,5-dimethoxy-2a,5a,6a,7-tetramethyl-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]fura n-6-yl]acetate [ACD/IUPAC Name]
Methyl-[(2aR,3R,5S,5aR,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3,5-dimethoxy-2a,5a,6a,7-tetramethyl-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]fura n-6-yl]acetat [German] [ACD/IUPAC Name]
121212-33-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.9±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 472.25
ACD/KOC (pH 5.5): 2856.11
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 472.25
ACD/KOC (pH 7.4): 2856.11
Polar Surface Area: 76 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 411.8±5.0 cm3

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