(3β,5Alpha,12β,25R)-Spirostan-3,12-Diol

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Formula C27H44O4
IUPAC Name (1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-10,16-diol
Molecular Mass 432.636 g·mol−1
Heat of Formation -1052.2 ± 16.7 kJ·mol−1
Dipole Moment 0.94 ± 1.08 D
Volume 551.98 Å 3
Surface Area 422.22 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 5alpha,25alpha-spirostan-3beta,12-diol
  • spirostan-3,12-diol, (3beta,5alpha,12beta,25r)-
CAS Number(s)
  • 16653-52-4
  • 509-98-8
InChIKey BQNMOLSYHYSCMS-TUUYSWIFSA-N
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