ChemSpider 2D Image | Methyl [(2aR,5aR,6aR,9aS)-9-(3-furyl)-2a,5a,6a,9a-tetramethyl-2,5-dioxo-2a,5a,6,6a,6b,7,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-6-yl]acetate | C27H30O7

Methyl [(2aR,5aR,6aR,9aS)-9-(3-furyl)-2a,5a,6a,9a-tetramethyl-2,5-dioxo-2a,5a,6,6a,6b,7,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-6-yl]acetate

  • Molecular FormulaC27H30O7
  • Average mass466.523 Da
  • Monoisotopic mass466.199158 Da
  • ChemSpider ID30650368

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

[(2aR,5aR,6aR,9aS)-9-(3-Furyl)-2a,5a,6a,9a-tétraméthyl-2,5-dioxo-2a,5a,6,6a,6b,7,9a,10a,10b,10c-décahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphto[2,3-d]furan-6-yl]acétate de méthyle [French] [ACD/IUPAC Name]
2H,5H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 9-(3-furanyl)-2a,5a,6,6a,6b,7,9a,10a,10b,10c-decahydro-2a,5a,6a,9a-tetramethyl-2,5-dioxo-, methyl ester, (2aR,5aR,6aR,9aS)- [ACD/Index Name]
Methyl [(2aR,5aR,6aR,9aS)-9-(3-furyl)-2a,5a,6a,9a-tetramethyl-2,5-dioxo-2a,5a,6,6a,6b,7,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-6-yl]acetate [ACD/IUPAC Name]
Methyl-[(2aR,5aR,6aR,9aS)-9-(3-furyl)-2a,5a,6a,9a-tetramethyl-2,5-dioxo-2a,5a,6,6a,6b,7,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-6-yl]acetat [German] [ACD/IUPAC 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: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.07
ACD/KOC (pH 5.5): 858.46
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.07
ACD/KOC (pH 7.4): 858.46
Polar Surface Area: 92 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 366.6±3.0 cm3

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