(4β,5β,6β,15Alpha,22R)-4,14-Dihydroxy-1,26-Dioxo-5,6:22,26-Diepoxyergosta-2,16,24-Trien-15-Yl Acetate

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Formula C30H38O8
IUPAC Name (4beta,5beta,6beta,15alpha,22r)-4,14-dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,16,24-trien-15-yl acetate
Molecular Mass 526.618 g·mol−1
Heat of Formation -1281.6 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 619.39 Å 3
Surface Area 464.71 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, delta-lactone, (4beta,5alpha,6beta,15alpha,22r)-
  • withangulatin a
CAS Number(s)
  • 120824-03-5
InChIKey PLPXOWZTDPJPHC-ISIACCJKSA-N
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