ChemSpider 2D Image | (3alpha,5beta,7beta,9beta,10alpha,13alpha,15R)-Pimar-8(14)-ene-3,7,15,16-tetrol | C20H34O4

(3α,5β,7β,9β,10α,13α,15R)-Pimar-8(14)-ene-3,7,15,16-tetrol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID28424375

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4aR,4bS,7S,9S,10aS)-7-[(1R)-1,2-Dihydroxyethyl]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-2,9-phenanthrenediol
(3α,5β,7β,9β,10α,13α,15R)-Pimar-8(14)-en-3,7,15,16-tetrol [German] [ACD/IUPAC Name]
(3α,5β,7β,9β,10α,13α,15R)-Pimar-8(14)-ene-3,7,15,16-tetrol [ACD/IUPAC Name]
(3α,5β,7β,9β,10α,13α,15R)-Pimar-8(14)-ène-3,7,15,16-tétrol [French] [ACD/IUPAC Name]
1188281-99-3 [RN]
2,9-Phenanthrenediol, 7-[(1R)-1,2-dihydroxyethyl]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, (2R,4aR,4bS,7S,9S,10aS)- [ACD/Index Name]
[1188281-99-3] [RN]
7-Hydroxydarutigenol
7β-Hydroxydarutigenol
7β-Hydroxydarutigenol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 514.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 90.5±6.0 kJ/mol
    Flash Point: 232.3±24.7 °C
    Index of Refraction: 1.568
    Molar Refractivity: 94.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.50
    ACD/KOC (pH 5.5): 429.74
    ACD/LogD (pH 7.4): 2.31
    ACD/BCF (pH 7.4): 33.50
    ACD/KOC (pH 7.4): 429.74
    Polar Surface Area: 81 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 288.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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