(3α,5Beta,25R)-Spirostan-3-Ol

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Formula C27H44O3
IUPAC Name (1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,16r,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 -870.1 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 539.89 Å 3
Surface Area 414.23 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (25r)-spirostan-3alpha-ol
  • (3alpha,5beta,25s)-spirostan-3-ol
  • 3-episarsasapogenin
  • 3-epismilagenin
  • episarsasapogenin
  • spirostan-3-ol, (3alpha,5beta,25r)
  • spirostan-3-ol, (3alpha,5beta,25s)-
CAS Number(s)
  • 16653-88-6
InChIKey GMBQZIIUCVWOCD-SGKIHABASA-N
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