ChemSpider 2D Image | viscosalactone B | C28H40O7

viscosalactone B

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID28489428

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,4β,5β,6β,22R)-3,4,27-Trihydroxy-5,6:22,26-diepoxyergost-24-en-1,26-dion [German] [ACD/IUPAC Name]
(3β,4β,5β,6β,22R)-3,4,27-Trihydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione [ACD/IUPAC Name]
(3β,4β,5β,6β,22R)-3,4,27-Trihydroxy-5,6:22,26-diépoxyergost-24-ène-1,26-dione [French] [ACD/IUPAC Name]
Ergost-24-ene-1,26-dione, 5,6:22,26-diepoxy-3,4,27-trihydroxy-, (3β,4β,5β,6β,22R)- [ACD/Index Name]
viscosalactone B
76938-46-0 [RN]
  • Miscellaneous

    • Chemical Class:

      A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of <ital>Ph ysalis longifolia</ital>. ChEBI CHEBI:69122
      A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Ph; ysal is longifolia. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69122
      A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. ChEBI CHEBI:69122

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 228.3±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.81
ACD/KOC (pH 5.5): 741.77
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.81
ACD/KOC (pH 7.4): 741.77
Polar Surface Area: 117 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 371.6±5.0 cm3

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