Catalpol

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Formula C15H22O10
IUPAC Name (2s,3r,4s,5s,6r)-2-[[(1as,1bs,2s,5ar,6s,6as)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 362.329 g·mol−1
Heat of Formation -1594.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 400.38 Å 3
Surface Area 332.39 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (1as-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-d-glucopyranoside
  • beta-d-glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1as-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-
  • beta-d-glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1as-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
  • catalpinoside
  • catalposide, des-p-hydroxybenzoyl-
  • de(p-hydroxybenzoyl)catalposide
  • lmpr01020108
CAS Number(s)
  • 2415-24-9
InChIKey LHDWRKICQLTVDL-PZYDOOQISA-N
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