(2R,3S,5S,11S,20R,22S,24S)-24-Methyl-22,25-Epoxyfurostan-2,3,11,20-Tetraol 2-Acetate

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Formula C26H18O7
IUPAC Name (2r,3s,5s,11s,20r,22s,24s)-24-methyl-22,25-epoxyfurostan-2,3,11,20-tetraol 2-acetate
Molecular Mass 442.417 g·mol−1
Heat of Formation -1629.4 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 642.8 Å 3
Surface Area 480.53 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 24-methyl-22,25-epoxy-5alpha-furostan-2,3,11,20-tetrol 2-monoacetate
  • furostan-2,3,11,20-tetrol, 22,25-epoxy-24-methyl-, 2-acetate, (2alpha,3alpha,5alpha,11beta,22alpha,24s)-
  • hippurin
CAS Number(s)
  • 66536-82-1
InChIKey HRJBSUKSBJIMML-JQXFSTGHSA-N
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