Found 78 results

Search term: MF = 'C_{29}H_{34}O_{8}'
ChemSpider 2D Image | Nimbanal | C29H34O8

Nimbanal

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID10320664

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3aR,4aS,5R,5aS,6R,9aR,10S,10aR)-5-Acétoxy-6-formyl-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-(acetyloxy)-6-formyl-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,4aS,5R,5aS,6R,9aR,10S ,10aR)- [ACD/Index Name]
Methyl [(2R,3aR,4aS,5R,5aS,6R,9aR,10S,10aR)-5-acetoxy-6-formyl-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,4aS,5R,5aS,6R,9aR,10S,10aR)-5-acetoxy-6-formyl-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]
Nimbanal
120462-51-3 [RN]
Methyl [(2R,3aR,4aS,5R,5aS,9aR,10S,10aR)-5-(acetyloxy)-6-formyl-2-(furan-3-yl)-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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 845.49
ACD/KOC (pH 5.5): 4333.38
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 845.49
ACD/KOC (pH 7.4): 4333.38
Polar Surface Area: 109 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 401.2±5.0 cm3

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