(3β,5β,6β,7β,17Alpha,22E)-7-Hydroxy-3-[(2-Methylalanyl)Oxy]-5,6-Epoxyergosta-8(14),22-Dien-18-Oic Acid

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Formula C25H35NO6
IUPAC Name (3beta,5beta,6beta,7beta,17alpha,22e)-7-hydroxy-3-[(2-methylalanyl)oxy]-5,6-epoxyergosta-8(14),22-dien-18-oic acid
Molecular Mass 445.548 g·mol−1
Heat of Formation -1198.6 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 696.62 Å 3
Surface Area 530.03 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 3.83 ± eV
Point Group Symmetry C1
Synonyms
  • ergokonin c
  • ergosta-8(14),22-dien-18-oic acid, 3-(2-amino-2-methyl-1-oxopropoxy)-5,6-epoxy-7-hydroxy-, (3beta,5alpha,6alpha,7beta,22e)-
CAS Number(s)
  • 139471-01-5
InChIKey YYOVEXZGHBXNOO-FLBCEDPUSA-N
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