ChemSpider 2D Image | (3beta,12beta,20S,25R)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid | C32H44O9

(3β,12β,20S,25R)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid

  • Molecular FormulaC32H44O9
  • Average mass572.686 Da
  • Monoisotopic mass572.298523 Da
  • ChemSpider ID413671

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,12β,20S,25R)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,12β,20S,25R)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,12β,20S,25R)-12-acétoxy-3-hydroxy-7,11,15,23-tétraoxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3-hydroxy-7,11,15,23-tetraoxo-, (3β,12β,20S,25R)- [ACD/Index Name]
12β-Acetyloxy-3β-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid
12β-Acetyloxy-3β-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid
98665-19-1 [RN]
CID 471005
ganoderic acid H

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

AIDS070762 [DBID]
AIDS-070762 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 710.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.1 mmHg at 25°C
    Enthalpy of Vaporization: 118.6±6.0 kJ/mol
    Flash Point: 222.5±26.4 °C
    Index of Refraction: 1.558
    Molar Refractivity: 146.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 15.96
    ACD/KOC (pH 5.5): 149.05
    ACD/LogD (pH 7.4): 0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.38
    Polar Surface Area: 152 Å2
    Polarizability: 58.2±0.5 10-24cm3
    Surface Tension: 53.4±5.0 dyne/cm
    Molar Volume: 455.9±5.0 cm3

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