ChemSpider 2D Image | Methyl (2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-9-(acetoxymethyl)-2-hydroxy-1b,7,10b-trimethyl-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]c yclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate | C33H38O8

Methyl (2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-9-(acetoxymethyl)-2-hydroxy-1b,7,10b-trimethyl-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]c yclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate

  • Molecular FormulaC33H38O8
  • Average mass562.650 Da
  • Monoisotopic mass562.256653 Da
  • ChemSpider ID64855248

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-9-(Acétoxyméthyl)-2-hydroxy-1b,7,10b-triméthyl-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadécahydrocyclopropa[4,5]cyclopro pa[4',5']cyclopenta[1',2':7,8]acéphénanthryléno[10a,10-b]furan-4(1H)-ylidène]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-9-(acetoxymethyl)-2-hydroxy-1b,7,10b-trimethyl-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]c yclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate [ACD/IUPAC Name]
Methyl-(2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-9-(acetoxymethyl)-2-hydroxy-1b,7,10b-trimethyl-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]c yclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-yliden]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(1aR,1bS,2R,4aR,4bS,8aS,9R,9aS,10aR,10bS,10cS,11bS)-9-[(acetyloxy)methyl]-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydro-2-hydroxy-1b,7,10b-trimethyl-3,6-dioxocyclopro pa[4,5]cyclopropa[4',5']cyclopent[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]-, methyl ester, (2Z)- [ACD/Index Name]
165171-09-5 [RN]
Shizukaol E

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 735.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 122.5±6.0 kJ/mol
    Flash Point: 238.0±26.4 °C
    Index of Refraction: 1.628
    Molar Refractivity: 143.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 3.82
    ACD/BCF (pH 5.5): 472.59
    ACD/KOC (pH 5.5): 2857.59
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 472.59
    ACD/KOC (pH 7.4): 2857.56
    Polar Surface Area: 116 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 59.5±5.0 dyne/cm
    Molar Volume: 405.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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