ChemSpider 2D Image | (9S,10S)-8,8-Dimethyl-10-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate | C24H28O8

(9S,10S)-8,8-Dimethyl-10-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC24H28O8
  • Average mass444.474 Da
  • Monoisotopic mass444.178406 Da
  • ChemSpider ID32697105

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de (9S,10S)-8,8-diméthyl-10-({[(2-méthyl-2-propanyl)oxy]carbonyl}oxy)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-9-yle [French] [ACD/IUPAC Name]
(9S,10S)-8,8-Dimethyl-10-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(9S,10S)-8,8-Dimethyl-10-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (9S,10S)-10-[[(1,1-dimethylethoxy)carbonyl]oxy]-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)- [ACD/Index Name]
(9S,10S)-8,8-Dimethyl-10-[(3-methylbutanoyl)oxy]-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methylbut-2-enoate
78478-28-1 [RN]
Praeruptorin E

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 552.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 236.9±30.2 °C
    Index of Refraction: 1.560
    Molar Refractivity: 114.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.50
    ACD/LogD (pH 5.5): 5.18
    ACD/BCF (pH 5.5): 5070.31
    ACD/KOC (pH 5.5): 15619.10
    ACD/LogD (pH 7.4): 5.18
    ACD/BCF (pH 7.4): 5070.31
    ACD/KOC (pH 7.4): 15619.10
    Polar Surface Area: 97 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 354.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement