ChemSpider 2D Image | (3beta,16alpha)-3-Acetoxy-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid | C33H50O5

(3β,16α)-3-Acetoxy-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC33H50O5
  • Average mass526.747 Da
  • Monoisotopic mass526.365845 Da
  • ChemSpider ID57256982

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
(3β,16α)-3-Acetoxy-16-hydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3-Acetoxy-16-hydroxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
77012-31-8 [RN]
Acide (3β,16α)-3-acétoxy-16-hydroxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3β,16α)- [ACD/Index Name]
9-Dehydropachymic acid
dehydropachymic acid
dehydropachymicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 629.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 106.7±6.0 kJ/mol
    Flash Point: 192.1±25.0 °C
    Index of Refraction: 1.549
    Molar Refractivity: 150.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.16
    ACD/LogD (pH 5.5): 6.44
    ACD/BCF (pH 5.5): 26568.85
    ACD/KOC (pH 5.5): 26701.64
    ACD/LogD (pH 7.4): 4.63
    ACD/BCF (pH 7.4): 417.56
    ACD/KOC (pH 7.4): 419.64
    Polar Surface Area: 84 Å2
    Polarizability: 59.7±0.5 10-24cm3
    Surface Tension: 44.8±5.0 dyne/cm
    Molar Volume: 473.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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