4B,27-Dihydroxy-1-Oxo-5B,6B-Epoxywitha-2,24-Dienolide

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Properties Simple | Detailed

Formula C28H38O6
IUPAC Name 4b,27-dihydroxy-1-oxo-5b,6b-epoxywitha-2,24-dienolide
Molecular Mass 470.598 g·mol−1
Heat of Formation -995.1 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 571.24 Å 3
Surface Area 440.05 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 5.beta.-ergosta-2,24-dien-26-oic acid, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20s,22r)-
  • ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22r)-
  • withaferin a
  • withaferin deriv jpr, iowa u. compound
CAS Number(s)
  • 5119-48-2
InChIKey DBRXOUCRJQVYJQ-CKNDUULBSA-N
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