Found 24 results

Search term: MF = 'C_{36}H_{49}NO_{9}'
ChemSpider 2D Image | 3-{[(1R,2S,4aR,7R,8R,8aR)-2-{[(2R,3S,5S,6R,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbon yl}-4,5-dihydroxy-1,5-dihydro-2H-pyrrol-2-one | C36H49NO9

3-{[(1R,2S,4aR,7R,8R,8aR)-2-{[(2R,3S,5S,6R,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbon yl}-4,5-dihydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC36H49NO9
  • Average mass639.776 Da
  • Monoisotopic mass639.340759 Da
  • ChemSpider ID24713978

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

2H-Pyrrol-2-one, 3-[[(1R,2S,4aR,7R,8R,8aR)-2-[[(2R,3S,5S,6R,8S,9S)-8-(3,5-dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-3,8-dimethyl-1-na phthalenyl]carbonyl]-1,5-dihydro-4,5-dihydroxy- [ACD/Index Name]
3-{[(1R,2S,4aR,7R,8R,8aR)-2-{[(2R,3S,5S,6R,8S,9S)-8-(3,5-Dihydroxyphényl)-3,5,9-triméthyl-1,7-dioxaspiro[5.5]undéc-2-yl]méthyl}-7-hydroxy-3,8-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbony l}-4,5-dihydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
3-{[(1R,2S,4aR,7R,8R,8aR)-2-{[(2R,3S,5S,6R,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbon yl}-4,5-dihydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-{[(1R,2S,4aR,7R,8R,8aR)-2-{[(2R,3S,5S,6R,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbon yl}-4,5-dihydroxy-1,5-dihydro-2H-pyrrol-2-on [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: 863.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 475.9±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 19.93
ACD/KOC (pH 5.5): 104.29
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 166 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 475.7±5.0 cm3

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