(4β,5β,6β,17Alpha,22R)-4,14,17,20-Tetrahydroxy-5,6:22,26-Diepoxyergosta-2,24-Diene-1,26-Dione

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Properties Simple | Detailed

Formula C25H16O8
IUPAC Name (4beta,5beta,6beta,17alpha,22r)-4,14,17,20-tetrahydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
Molecular Mass 444.390 g·mol−1
Heat of Formation -1375.8 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 580.24 Å 3
Surface Area 435.1 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • 4-beta-hydroxywithanolide e
  • 4.beta.-hydroxywithanolide e
  • 4beta-hydroxywithanolide e
  • 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
  • ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone
  • ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,17.alpha.,22r)-
  • ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (4-beta,5-beta,6-beta,17-alpha,22r)-
  • withanolide e, 4-b-hydroxy-
  • withanolide e, 4-beta-hydroxy-
CAS Number(s)
  • 54334-04-2
InChIKey UPBUGICUKQIKTJ-KABTZXSUSA-N
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