(4β,5β,6β,22R)-4-Hydroxy-1,27-Dioxo-5,6:22,27-Diepoxyergosta-2,24-Dien-26-Al

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Formula C28H36O6
IUPAC Name (4beta,5beta,6beta,22r)-4-hydroxy-1,27-dioxo-5,6:22,27-diepoxyergosta-2,24-dien-26-al
Molecular Mass 468.582 g·mol−1
Heat of Formation -925.0 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 561.98 Å 3
Surface Area 434.58 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 27-dehydrowithaferin a
  • 27-dwa
  • ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22-dihydroxy-1,27-dioxo-, delta-lactone, (4beta,5beta,6beta,22r)-
CAS Number(s)
  • 109357-42-8
InChIKey UZJYJCDYFRLVKM-CKNDUULBSA-N
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