ChemSpider 2D Image | (3beta,20R)-3-Acetoxy-24-methylenelanosta-7,9(11)-dien-21-oic acid | C33H50O4

(3β,20R)-3-Acetoxy-24-methylenelanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC33H50O4
  • Average mass510.748 Da
  • Monoisotopic mass510.370911 Da
  • ChemSpider ID57619883

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-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,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-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,20R)-3-Acetoxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3β,20R)-3-Acetoxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
77035-42-8 [RN]
Acide (3β,20R)-3-acétoxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3-(acetyloxy)-24-methylene-, (3β,20R)- [ACD/Index Name]
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
(R)-2-((3S,5R,10S,13R,14R,17R)-3-acetoxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methyleneheptanoic acid
3-O-acetyldehydroeburicoic acid
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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: 599.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±6.0 kJ/mol
    Flash Point: 181.6±23.6 °C
    Index of Refraction: 1.539
    Molar Refractivity: 149.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 9.87
    ACD/LogD (pH 5.5): 8.05
    ACD/BCF (pH 5.5): 464925.31
    ACD/KOC (pH 5.5): 216912.77
    ACD/LogD (pH 7.4): 6.25
    ACD/BCF (pH 7.4): 7317.28
    ACD/KOC (pH 7.4): 3413.91
    Polar Surface Area: 64 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 41.9±5.0 dyne/cm
    Molar Volume: 475.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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