ChemSpider 2D Image | 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-11-oxo-, (3alpha,4alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)- | C31H46O6

29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-11-oxo-, (3α,4α,8α,9β,13α,14β,16β,17Z)-

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID20100309

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3-hydroxy-4,8,14-trimethyl-11-oxo-18-norcholesta-17,24-dien-21-oic acid [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3-hydroxy-4,8,14-trimethyl-11-oxo-18-norcholesta-17,24-dien-21-säure [German] [ACD/IUPAC Name]
29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-11-oxo-, (3α,4α,8α,9β,13α,14β,16β,17Z)-
5-Heptenoic acid, 2-[(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-(acetyloxy)-3-hydroxy-4,8,10,14-tetramethyl-11-oxogonan-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]
Acide (3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-acétoxy-3-hydroxy-4,8,14-triméthyl-11-oxo-18-norcholesta-17,24-dién-21-oïque [French] [ACD/IUPAC Name]
(2Z)-2-[(3R,4S,5S,8S,9S,10S,13R,14S,16S)-16-acetyloxy-3-hydroxy-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
11-KETO FUSIDIC ACID
16711-91-4 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 635.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±6.0 kJ/mol
    Flash Point: 198.3±25.0 °C
    Index of Refraction: 1.553
    Molar Refractivity: 141.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.28
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 397.03
    ACD/KOC (pH 5.5): 901.25
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 7.74
    ACD/KOC (pH 7.4): 17.57
    Polar Surface Area: 101 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 48.0±5.0 dyne/cm
    Molar Volume: 442.3±5.0 cm3

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