Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one | C31H52O5

(8α,9β,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID57620705

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3aR,3bS,5aR,9aS,9bS,10S)-1-[(2R,4S,5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
(8α,9β,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-on [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-méthoxydammar-13(17)-én-3-one [French] [ACD/IUPAC Name]
155801-00-6 [RN]
Dammar-13(17)-en-3-one, 11,23,24-trihydroxy-25-methoxy-, (8α,9β,11β,14β,23S,24R)- [ACD/Index Name]
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
25-Methoxyalisol A
25-MethoxyalisolA
25-o-methylalisol a
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 618.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.1 mmHg at 25°C
    Enthalpy of Vaporization: 105.1±6.0 kJ/mol
    Flash Point: 190.4±25.0 °C
    Index of Refraction: 1.544
    Molar Refractivity: 143.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.01
    ACD/LogD (pH 5.5): 5.32
    ACD/BCF (pH 5.5): 6549.22
    ACD/KOC (pH 5.5): 18759.43
    ACD/LogD (pH 7.4): 5.32
    ACD/BCF (pH 7.4): 6549.22
    ACD/KOC (pH 7.4): 18759.43
    Polar Surface Area: 87 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 45.8±5.0 dyne/cm
    Molar Volume: 453.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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