(1β,3β,5β,25S)-1,5-Dihydroxyspirostan-3-Yl Alpha-L-Arabinopyranoside

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Formula C32H52O9
IUPAC Name (2s,3r,4s,5s)-2-[(1s,2s,4s,5's,6r,7s,8r,9s,12s,13s,14r,16s,18s)-14,18-dihydroxy-5',7,9,13-tetramethyl-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-yl]oxytetrahydropyran-3,4,5-triol
Molecular Mass 580.750 g·mol−1
Heat of Formation -1977.4 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 691.8 Å 3
Surface Area 508.36 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry C1
Synonyms
  • convallasaponin a
CAS Number(s)
  • 19316-94-0
InChIKey CDJCQFDFKCXDKX-ZCYOMUHCSA-N
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Elements H C O