ChemSpider 2D Image | 28-(1H-Imidazol-1-yl)-3,12,28-trioxooleana-1,9(11)-diene-2-carbonitrile | C34H43N3O3

28-(1H-Imidazol-1-yl)-3,12,28-trioxooleana-1,9(11)-diene-2-carbonitrile

  • Molecular FormulaC34H43N3O3
  • Average mass541.724 Da
  • Monoisotopic mass541.330444 Da
  • ChemSpider ID8134604

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,6aS,6bR,8aS,12aS,12bR,14bS)-8a-(1H-imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-2-carbonitrile
(4aR,6aS,6bR,8aS,12aS,12bR,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,7,8,9,10,12,12a,12b-decahydropicene-2-carbonitrile
28-(1H-Imidazol-1-yl)-3,12,28-trioxooleana-1,9(11)-dien-2-carbonitril [German] [ACD/IUPAC Name]
28-(1H-Imidazol-1-yl)-3,12,28-trioxooleana-1,9(11)-diene-2-carbonitrile [ACD/IUPAC Name]
28-(1H-Imidazol-1-yl)-3,12,28-trioxooléana-1,9(11)-diène-2-carbonitrile [French] [ACD/IUPAC Name]
443104-02-7 [RN]
Oleana-1,9(11)-diene-2-carbonitrile, 28-(1H-imidazol-1-yl)-3,12,28-trioxo- [ACD/Index Name]
(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-3,13-diketo-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile
(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile
2-Cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid imidazolide
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 681.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.0±3.0 kJ/mol
    Flash Point: 366.2±34.3 °C
    Index of Refraction: 1.637
    Molar Refractivity: 157.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 5.70
    ACD/LogD (pH 5.5): 5.96
    ACD/BCF (pH 5.5): 19902.66
    ACD/KOC (pH 5.5): 41457.15
    ACD/LogD (pH 7.4): 5.96
    ACD/BCF (pH 7.4): 20086.16
    ACD/KOC (pH 7.4): 41839.39
    Polar Surface Area: 93 Å2
    Polarizability: 62.4±0.5 10-24cm3
    Surface Tension: 47.9±7.0 dyne/cm
    Molar Volume: 438.2±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement