ChemSpider 2D Image | 5-Hydroxy-5-(4-hydroxybenzyl)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methyl-2-hexen-2-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one | C32H43NO4

5-Hydroxy-5-(4-hydroxybenzyl)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methyl-2-hexen-2-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID4977458

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2H-Pyrrol-2-one, 3-[[(1R,2S,4aS,6S,8aR)-2-[(1E)-1,3-dimethyl-1-penten-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-3,4a,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-5-hydroxy-5-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]
5-Hydroxy-5-(4-hydroxybenzyl)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-triméthyl-2-[(2E)-4-méthyl-2-hexén-2-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-Hydroxy-5-(4-hydroxybenzyl)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methyl-2-hexen-2-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-Hydroxy-5-(4-hydroxybenzyl)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methyl-2-hexen-2-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl}carbonyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-{[3-(1,3-Dimethylpent-1-enyl)(2S,3S,8S,6R)-4,6,8-trimethylbicyclo[4.4.0]dec-4-en-2-yl]carbonyl}-5-hydroxy-5-[(4-hydroxyphenyl)methyl]-3-pyrrolin-2-one
Talaroconvolutin B
ZG-1494α
ZG-1494α

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

AIDS097034 [DBID]
AIDS-097034 [DBID]
AIDS097203 [DBID]
AIDS-097203 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 701.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55428.60
ACD/KOC (pH 5.5): 86524.87
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55235.89
ACD/KOC (pH 7.4): 86224.05
Polar Surface Area: 87 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

Click to predict properties on the Chemicalize site


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