ChemSpider 2D Image | Tigloylgomisin P | C28H34O9

Tigloylgomisin P

  • Molecular FormulaC28H34O9
  • Average mass514.564 Da
  • Monoisotopic mass514.220276 Da
  • ChemSpider ID10276688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (5S,6R,7S)-6-hydroxy-1,2,3,13-tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
(5S,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(5S,6R,7S)-6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (5S,6R,7S)-5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl ester, (2E)- [ACD/Index Name]
Tigloylgomisin P
[(8S,9R,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate
1181216-84-1 [RN]
MFCD30834630
SCHISANWILSONIN B
Schisanwilsonin I

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 638.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 206.5±25.0 °C
    Index of Refraction: 1.589
    Molar Refractivity: 134.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.06
    ACD/LogD (pH 5.5): 4.74
    ACD/BCF (pH 5.5): 2369.71
    ACD/KOC (pH 5.5): 9061.55
    ACD/LogD (pH 7.4): 4.74
    ACD/BCF (pH 7.4): 2369.71
    ACD/KOC (pH 7.4): 9061.55
    Polar Surface Area: 102 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 54.1±5.0 dyne/cm
    Molar Volume: 400.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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