ChemSpider 2D Image | (6beta,7alpha)-6,7,12-Trihydroxy-11,14-dioxoabieta-8,12-dien-16-yl acetate | C22H30O7

(6β,7α)-6,7,12-Trihydroxy-11,14-dioxoabieta-8,12-dien-16-yl acetate

  • Molecular FormulaC22H30O7
  • Average mass406.469 Da
  • Monoisotopic mass406.199158 Da
  • ChemSpider ID28424422

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(6β,7α)-6,7,12-Trihydroxy-11,14-dioxoabieta-8,12-dien-16-yl acetate [ACD/IUPAC Name]
(6β,7α)-6,7,12-Trihydroxy-11,14-dioxoabieta-8,12-dien-16-yl-acetat [German] [ACD/IUPAC Name]
1,4-Phenanthrenedione, 2-[2-(acetyloxy)-1-methylethyl]-4b,5,6,7,8,8a,9,10-octahydro-3,9,10-trihydroxy-4b,8,8-trimethyl-, (4bS,8aS,9S,10S)- [ACD/Index Name]
Acétate de (6β,7α)-6,7,12-trihydroxy-11,14-dioxoabiéta-8,12-dién-16-yle [French] [ACD/IUPAC Name]
[120462-45-5] [RN]
120462-45-5 [RN]
Lophanthoidin E
MFCD20260640

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 551.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±6.0 kJ/mol
    Flash Point: 186.4±23.6 °C
    Index of Refraction: 1.577
    Molar Refractivity: 103.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 19.94
    ACD/KOC (pH 5.5): 141.76
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.52
    Polar Surface Area: 121 Å2
    Polarizability: 41.0±0.5 10-24cm3
    Surface Tension: 56.5±5.0 dyne/cm
    Molar Volume: 311.7±5.0 cm3

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