ChemSpider 2D Image | (6beta,7alpha)-6,12-Dihydroxy-11,14-dioxoabieta-8,12-diene-7,16-diyl diacetate | C24H32O8

(6β,7α)-6,12-Dihydroxy-11,14-dioxoabieta-8,12-diene-7,16-diyl diacetate

  • Molecular FormulaC24H32O8
  • Average mass448.506 Da
  • Monoisotopic mass448.209717 Da
  • ChemSpider ID28424421

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(6β,7α)-6,12-Dihydroxy-11,14-dioxoabieta-8,12-dien-7,16-diyl-diacetat [German] [ACD/IUPAC Name]
(6β,7α)-6,12-Dihydroxy-11,14-dioxoabieta-8,12-diene-7,16-diyl diacetate [ACD/IUPAC Name]
1,4-Phenanthrenedione, 10-(acetyloxy)-2-[2-(acetyloxy)-1-methylethyl]-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-4b,8,8-trimethyl-, (4bS,8aS,9S,10S)- [ACD/Index Name]
Diacétate de (6β,7α)-6,12-dihydroxy-11,14-dioxoabiéta-8,12-diène-7,16-diyle [French] [ACD/IUPAC Name]
[120462-42-2] [RN]
120462-42-2 [RN]
Lophanthoidin B
MFCD20260639

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 564.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.4±6.0 kJ/mol
    Flash Point: 185.4±23.6 °C
    Index of Refraction: 1.559
    Molar Refractivity: 112.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.60
    ACD/LogD (pH 5.5): 2.86
    ACD/BCF (pH 5.5): 48.22
    ACD/KOC (pH 5.5): 275.69
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.81
    Polar Surface Area: 127 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 349.5±5.0 cm3

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