ChemSpider 2D Image | (3beta,16alpha)-3-Acetoxy-16-hydroxylanosta-7,9(11),24-trien-21-oic acid | C32H48O5

(3β,16α)-3-Acetoxy-16-hydroxylanosta-7,9(11),24-trien-21-oic acid

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID57257130

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,16α)-3-Acetoxy-16-hydroxylanosta-7,9(11),24-trien-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3-Acetoxy-16-hydroxylanosta-7,9(11),24-trien-21-säure [German] [ACD/IUPAC Name]
Acide (3β,16α)-3-acétoxy-16-hydroxylanosta-7,9(11),24-trién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-21-oic acid, 3-(acetyloxy)-16-hydroxy-, (3β,16α)- [ACD/Index Name]
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
168293-14-9 [RN]
3-O-Acetyl-16 α-hydroxydehydrotrametenolic acid
DLBLMTCYISHWGP-KOCSMGCBSA-N
MFCD31560811

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 624.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.1 mmHg at 25°C
    Enthalpy of Vaporization: 106.0±6.0 kJ/mol
    Flash Point: 192.7±25.0 °C
    Index of Refraction: 1.555
    Molar Refractivity: 146.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 7.81
    ACD/LogD (pH 5.5): 6.15
    ACD/BCF (pH 5.5): 16044.99
    ACD/KOC (pH 5.5): 18627.39
    ACD/LogD (pH 7.4): 4.34
    ACD/BCF (pH 7.4): 252.16
    ACD/KOC (pH 7.4): 292.74
    Polar Surface Area: 84 Å2
    Polarizability: 57.9±0.5 10-24cm3
    Surface Tension: 46.2±5.0 dyne/cm
    Molar Volume: 454.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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