Found 93 results

Search term: MF = 'C_{32}H_{45}NO_{4}'
ChemSpider 2D Image | Methyl (1S,2R,4aS,6aS,6bR,8aR,13aS,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazole-4a(2H)-carboxylate | C32H45NO4

Methyl (1S,2R,4aS,6aS,6bR,8aR,13aS,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazole-4a(2H)-carboxylate

  • Molecular FormulaC32H45NO4
  • Average mass507.704 Da
  • Monoisotopic mass507.334869 Da
  • ChemSpider ID8752938

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,4aS,6aS,6bR,8aR,13aS,13bR,15bS)-1,2,6a,6b,9,9,13a-Heptaméthyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadécahydropicéno[2,3-d][1,2]oxazole-4a(2H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1S,2R,4aS,6aS,6bR,8aR,13aS,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazole-4a(2H)-carboxylate [ACD/IUPAC Name]
Methyl-(1S,2R,4aS,6aS,6bR,8aR,13aS,13bR,15bS)-1,2,6a,6b,9,9,13a-heptamethyl-14-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-d][1,2]oxazol-4a(2H)-carboxylat [German] [ACD/IUPAC Name]
Piceno[2,3-d]isoxazole-4a(2H)-carboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydro-1,2,6a,6b,9,9,13a-heptamethyl-14-oxo-, methyl ester, (1S,2R,4aS,6aS,6bR,8aR,13aS,13bR,15bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 359777.56
ACD/KOC (pH 5.5): 330051.97
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 359777.56
ACD/KOC (pH 7.4): 330051.97
Polar Surface Area: 69 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 440.6±5.0 cm3

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