ChemSpider 2D Image | (3beta,5xi,20Z)-3-Hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid | C30H40O7

(3β,5ξ,20Z)-3-Hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC30H40O7
  • Average mass512.634 Da
  • Monoisotopic mass512.277405 Da
  • ChemSpider ID58802237

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3β,5ξ,20Z)-3-Hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,20Z)-3-Hydroxy-7,11,15,23-tetraoxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,20Z)-3-hydroxy-7,11,15,23-tétraoxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 3-hydroxy-7,11,15,23-tetraoxo-, (3β,5ξ,20Z)- [ACD/Index Name]
120462-48-8 [RN]
Ganoderenic acid H
Resinacein K

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 688.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 115.4±6.0 kJ/mol
    Flash Point: 384.0±28.0 °C
    Index of Refraction: 1.570
    Molar Refractivity: 135.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): 2.11
    ACD/BCF (pH 5.5): 13.65
    ACD/KOC (pH 5.5): 118.67
    ACD/LogD (pH 7.4): 0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.87
    Polar Surface Area: 126 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 53.1±5.0 dyne/cm
    Molar Volume: 413.0±5.0 cm3

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