ChemSpider 2D Image | nimbolide | C27H30O7

nimbolide

  • Molecular FormulaC27H30O7
  • Average mass466.523 Da
  • Monoisotopic mass466.199158 Da
  • ChemSpider ID58190373
  • defined stereocentres - 7 of 9 defined stereocentres


More details:






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

[(2aR,5aR,6S,6aR,9aR,10aS,10bR)-8-(3-Furyl)-2a,5a,6a,7-tétraméthyl-2,5-dioxo-2a,5a,6,6a,8,9,9a,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]
25990-37-8 [RN]
2H,5H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 8-(3-furanyl)-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2a,5a,6a,7-tetramethyl-2,5-dioxo-, methyl ester, (2aR,5aR,6S,6aR,9aR,10aS,10bR)- [ACD/Index Name]
Methyl [(2aR,5aR,6S,6aR,9aR,10aS,10bR)-8-(3-furyl)-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,5a,6,6a,8,9,9a,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,6S,6aR,9aR,10aS,10bR)-8-(3-furyl)-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,5a,6,6a,8,9,9a,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]
nimbolide
8-(3-furanyl)-2aR,5aR,6S,6aR,8R,9,9aR,10aS,10bR,10cR-decahydro-2a,5a,6a,7-tetramethyl-2,5-dioxo-2H,5H-cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-acetic acid, methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.96
ACD/KOC (pH 5.5): 1250.52
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.96
ACD/KOC (pH 7.4): 1250.52
Polar Surface Area: 92 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 353.3±5.0 cm3

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