ChemSpider 2D Image | Methyl (3beta,12beta)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate | C33H46O9

Methyl (3β,12β)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate

  • Molecular FormulaC33H46O9
  • Average mass586.713 Da
  • Monoisotopic mass586.314209 Da
  • ChemSpider ID10264366

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,12β)-12-Acétoxy-3-hydroxy-7,11,15,23-tétraoxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3-hydroxy-7,11,15,23-tetraoxo-, methyl ester, (3β,12β)- [ACD/Index Name]
Methyl (3β,12β)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,12β)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
98665-11-3 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1076745/
methyl (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Methyl ganoderate H

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 684.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.8 mmHg at 25°C
    Enthalpy of Vaporization: 114.8±6.0 kJ/mol
    Flash Point: 210.4±25.0 °C
    Index of Refraction: 1.544
    Molar Refractivity: 151.7±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 228.96
    ACD/KOC (pH 5.5): 1701.07
    ACD/LogD (pH 7.4): 3.41
    ACD/BCF (pH 7.4): 228.96
    ACD/KOC (pH 7.4): 1701.07
    Polar Surface Area: 141 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 49.6±5.0 dyne/cm
    Molar Volume: 480.7±5.0 cm3

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