ChemSpider 2D Image | (3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate | C30H37NO6

(3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate

  • Molecular FormulaC30H37NO6
  • Average mass507.618 Da
  • Monoisotopic mass507.262085 Da
  • ChemSpider ID21429464

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylen-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl-acetat [German] [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate [ACD/IUPAC Name]
11H-cycloundec[d]isoindol-11-one, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-1,6,12-trihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-
1H-Cycloundec[d]isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)- [ACD/Index Name]
Acétate de (3S,3aR,4S,6S,6aR,7Z,10S,12R,13Z,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-triméthyl-5-méthylène-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodécahydro-1H-cycloundéca[d]isoindol-15-yle [French] [ACD/IUPAC Name]
Cytochalasin D
MFCD00077706
Zygosporin A

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

UNII:SY9F0FZ3TO [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 691.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.4±3.0 kJ/mol
    Flash Point: 372.1±34.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 139.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 79.06
    ACD/KOC (pH 5.5): 711.50
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 79.14
    ACD/KOC (pH 7.4): 712.24
    Polar Surface Area: 116 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 45.8±7.0 dyne/cm
    Molar Volume: 404.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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