ChemSpider 2D Image | (3beta,5beta,9beta,10alpha,12beta,14beta)-16-Oxo-8,14:12,16-diepoxyabiet-13(15)-en-3-yl acetate | C22H30O5

(3β,5β,9β,10α,12β,14β)-16-Oxo-8,14:12,16-diepoxyabiet-13(15)-en-3-yl acetate

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID21615417

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5β,9β,10α,12β,14β)-16-Oxo-8,14:12,16-diepoxyabiet-13(15)-en-3-yl acetate [ACD/IUPAC Name]
(3β,5β,9β,10α,12β,14β)-16-Oxo-8,14:12,16-diepoxyabiet-13(15)-en-3-yl-acetat [German] [ACD/IUPAC Name]
2H-Oxireno[1,10a]phenanthro[3,2-b]furan-10(11bH)-one, 5-(acetyloxy)-3,3a,4,5,6,7,7a,7b,8,8a-decahydro-4,4,7a,11-tetramethyl-, (1aS,3aS,5S,7aR,7bS,8aR,11bR)- [ACD/Index Name]
Acétate de (3β,5β,9β,10α,12β,14β)-16-oxo-8,14:12,16-diépoxyabiét-13(15)-én-3-yle [French] [ACD/IUPAC Name]
122537-59-1 [RN]
Gelomulide A
MFCD28009395

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 508.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.8±3.0 kJ/mol
    Flash Point: 221.1±30.2 °C
    Index of Refraction: 1.558
    Molar Refractivity: 98.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 272.65
    ACD/KOC (pH 5.5): 1927.57
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 272.65
    ACD/KOC (pH 7.4): 1927.57
    Polar Surface Area: 65 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 45.7±5.0 dyne/cm
    Molar Volume: 305.4±5.0 cm3

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