ChemSpider 2D Image | (6S,7S,8S)-1,2,10,11,12-Pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,8-diol | C23H30O7

(6S,7S,8S)-1,2,10,11,12-Pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,8-diol

  • Molecular FormulaC23H30O7
  • Average mass418.480 Da
  • Monoisotopic mass418.199158 Da
  • ChemSpider ID29397702

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7S,8S)-1,2,10,11,12-Pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-3,8-diol [German] [ACD/IUPAC Name]
(6S,7S,8S)-1,2,10,11,12-Pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,8-diol [ACD/IUPAC Name]
(6S,7S,8S)-1,2,10,11,12-Pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulène-3,8-diol [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene-3,8-diol, 5,6,7,8-tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyl-, (6S,7S,8S)- [ACD/Index Name]
(9S,10S,11S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,11-diol
119239-49-5 [RN]
Gomisin S

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 594.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±3.0 kJ/mol
    Flash Point: 313.2±30.1 °C
    Index of Refraction: 1.551
    Molar Refractivity: 113.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.69
    ACD/LogD (pH 5.5): 3.15
    ACD/BCF (pH 5.5): 145.00
    ACD/KOC (pH 5.5): 1226.57
    ACD/LogD (pH 7.4): 3.14
    ACD/BCF (pH 7.4): 142.65
    ACD/KOC (pH 7.4): 1206.66
    Polar Surface Area: 87 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 357.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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