ChemSpider 2D Image | Nimbin | C30H36O9

Nimbin

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID29365147

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3aR,4aR,5R,5aS,6R,9aR,10S,10aR)-5,6-Diacétoxy-2-(3-furyl)-1,6,9a,10a-tétraméthyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-décahydro-2H-cyclopenta[b]naphto[2,3-d]furan-10-yl]acétate de méthyle [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5,6-bis(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aR,5R,5aS,6R,9aR,10S,10a R)- [ACD/Index Name]
Methyl [(2R,3aR,4aR,5R,5aS,6R,9aR,10S,10aR)-5,6-diacetoxy-2-(3-furyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl]acetate [ACD/IUPAC Name]
Methyl-[(2R,3aR,4aR,5R,5aS,6R,9aR,10S,10aR)-5,6-diacetoxy-2-(3-furyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl]acetat [German] [ACD/IUPAC Name]
Nimbin [Wiki]
(4a,5a,6a,7a,15b,17a)-6-(Acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo- 18,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid dimethyl 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: 606.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.4±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1737.55
ACD/KOC (pH 5.5): 7256.78
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1737.55
ACD/KOC (pH 7.4): 7256.78
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

Click to predict properties on the Chemicalize site


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