Found 63 results

Search term: MF = 'C_{34}H_{49}NO_{5}'
ChemSpider 2D Image | 4-Ethoxy-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)-2-pyrrolidinone | C34H49NO5

4-Ethoxy-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)-2-pyrrolidinone

  • Molecular FormulaC34H49NO5
  • Average mass551.757 Da
  • Monoisotopic mass551.361084 Da
  • ChemSpider ID8500764

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 9 defined stereocentres

More details:

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

2-Pyrrolidinone, 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]-4-ethoxy-5-hydroxy-5-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]
4-Éthoxy-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)-2-pyrrolidinone [French] [ACD/IUPAC Name]
4-Ethoxy-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)-2-pyrrolidinone [ACD/IUPAC Name]
4-Ethoxy-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)-2-pyrrolidinon [German] [ACD/IUPAC Name]
Talaroconvolutin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.2±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113378.85
ACD/KOC (pH 5.5): 144412.89
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 112911.26
ACD/KOC (pH 7.4): 143817.31
Polar Surface Area: 96 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 481.7±5.0 cm3

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