ChemSpider 2D Image | (2aS,3S,5R,5aS,6S,6aS,8S,9aS,10aR,10bS,10cS)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-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]na phtho[2,3-d]furan-5-yl 3-methyl-2-butenoate | C32H42O8

(2aS,3S,5R,5aS,6S,6aS,8S,9aS,10aR,10bS,10cS)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-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]na phtho[2,3-d]furan-5-yl 3-methyl-2-butenoate

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID82966158

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2aS,3S,5R,5aS,6S,6aS,8S,9aS,10aR,10bS,10cS)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-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]na phtho[2,3-d]furan-5-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
(2aS,3S,5R,5aS,6S,6aS,8S,9aS,10aR,10bS,10cS)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-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]na phtho[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)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, met hyl ester, (2aS,3S,5R,5aS,6S,6aS,8S,9aS,10aR,10bS,10cS)- [ACD/Index Name]
3-Méthyl-2-buténoate de (2aS,3S,5R,5aS,6S,6aS,8S,9aS,10aR,10bS,10cS)-8-(3-furyl)-3-hydroxy-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécahydro-2H,3H-cyclopent a[b]furo[2',3',4':4,5]naphto[2,3-d]furan-5-yle [French] [ACD/IUPAC Name]
97411-50-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3240.69
ACD/KOC (pH 5.5): 11337.29
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3240.69
ACD/KOC (pH 7.4): 11337.29
Polar Surface Area: 104 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

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