(25R)-5A-Spirostan-3B-Ol

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Formula C27H44O3
IUPAC Name (1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,16s,18s)-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 -874.3 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 541.1 Å 3
Surface Area 416.88 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • spirostan-3-ol, (3beta,5alpha,25s)-
CAS Number(s)
  • 77-60-1
InChIKey GMBQZIIUCVWOCD-MFRNJXNGSA-N
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DOI
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Elements H C O