ChemSpider 2D Image | (8aR,9S,11R,12R)-3-Chloro-11,15,16-trihydroxy-4,9,12-trimethoxy-13-methyl-8a,11,12,13-tetrahydro-9H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17-dione | C29H24ClNO11

(8aR,9S,11R,12R)-3-Chloro-11,15,16-trihydroxy-4,9,12-trimethoxy-13-methyl-8a,11,12,13-tetrahydro-9H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17-dione

  • Molecular FormulaC29H24ClNO11
  • Average mass597.954 Da
  • Monoisotopic mass597.103760 Da
  • ChemSpider ID4590875

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8aR,9S,11R,12R)-3-Chlor-11,15,16-trihydroxy-4,9,12-trimethoxy-13-methyl-8a,11,12,13-tetrahydro-9H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-14,17-dion [German] [ACD/IUPAC Name]
(8aR,9S,11R,12R)-3-Chloro-11,15,16-trihydroxy-4,9,12-trimethoxy-13-methyl-8a,11,12,13-tetrahydro-9H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17-dione [ACD/IUPAC Name]
(8aR,9S,11R,12R)-3-Chloro-11,15,16-trihydroxy-4,9,12-triméthoxy-13-méthyl-8a,11,12,13-tétrahydro-9H-chroméno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-14,17-dione [French] [ACD/IUPAC Name]
9H-[1]Benzopyrano[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphth[2,1-g]isoquinoline-14,17-dione, 3-chloro-8a,11,12,13-tetrahydro-11,15,16-trihydroxy-4,9,12-trimethoxy-13-methyl-, (8aR,9S,11R,12R)- [ACD/Index Name]
(7R,8R,12S,13R)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),10,17,20(25),21,23,27-nonaene-5,26-dione
59113-57-4 [RN]
9H-Xantheno(4',3',2':4,5)(1,3)benzodioxino(7,6-g)isoquinoline-14,17-dione, 3-chloro-8a,11,12,13-tetrahydro-11,15,16-trihydroxy-4,9,12-trimethoxy-13-methyl-, (8aα,9β,11β,12β)-(-)-
E'lysolipin'
lysolipin I
MFCD28898532

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 887.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.1±3.0 kJ/mol
    Flash Point: 490.5±34.3 °C
    Index of Refraction: 1.754
    Molar Refractivity: 142.8±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 16.65
    ACD/KOC (pH 5.5): 223.57
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.62
    Polar Surface Area: 153 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 96.2±5.0 dyne/cm
    Molar Volume: 349.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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