Smilagenin

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Formula C27H44O3
IUPAC Name (1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-ol
Molecular Mass 416.636 g·mol−1
Heat of Formation -857.1 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 541.97 Å 3
Surface Area 416.78 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (25r)-5beta-spirostan-3beta-ol
  • (25r)-spirostan-3.beta.-ol
  • (25r)-spirostan-3beta-ol
  • 5.beta.-spirostan-3.beta.-ol, (25r)-
  • 5beta-spirostan-3beta-ol, (25r)- (8ci)
  • isosarsapogenin
  • isosarsasapogenin
  • smp1_000275
  • spirostan-3-ol, (3.beta.,5.beta.,25r)-
  • spirostan-3-ol, (3beta,5beta,25r)- (9ci)
CAS Number(s)
  • 126-18-1
InChIKey GMBQZIIUCVWOCD-UQHLGXRBSA-N
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