(5β,6β,22R)-27-Hydroxy-5,6:22,26-Diepoxyergosta-2,24-Diene-1,4,26-Trione

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Formula C28H36O6
IUPAC Name (5beta,6beta,22r)-27-hydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,4,26-trione
Molecular Mass 468.582 g·mol−1
Heat of Formation -923.2 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 566.26 Å 3
Surface Area 438.54 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-dehydrowithaferin a
  • 4-dwa
  • ergosta-2,24-dien-26-oic acid, 5,6-epoxy-22,27-dihydroxy-1,4-dioxo-, delta-lactone, (5beta,6beta,22r)-
CAS Number(s)
  • 6850-30-2
InChIKey XGPALHIQWWGRFB-TTWUVOALSA-N
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