Withanolide

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Properties Simple | Detailed

Formula C28H38O6
IUPAC Name withanolide
Molecular Mass 470.598 g·mol−1
Heat of Formation -1011.0 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 563.81 Å 3
Surface Area 430.34 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (4beta,5beta,6beta,22r)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
  • 5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
  • withanolide d
CAS Number(s)
  • 30655-48-2
InChIKey SASUFNRGCZMRFD-JCUIILOWSA-N
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