(1As,1Bs,2S,5Ar,6S,6As)-2-(β-D-Glucopyranosyloxy)-1A-(Hydroxymethyl)-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-6-Yl 4-Hydroxybenzoate

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Properties Simple | Detailed

Formula C22H26O12
IUPAC Name 4-[[(1as,1bs,2s,5ar,6s,6as)-1a-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,5a,6,6a-tetrahydro-1bh-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl]oxycarbonyl]benzene-2,6-diid-1-olate
Molecular Mass 482.435 g·mol−1
Heat of Formation -1192.5 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 521.45 Å 3
Surface Area 429.84 Å 2
Point Group Symmetry C1
Synonyms
  • 1a(s)alpha,1bbeta,2beta,5abeta,6beta,6aalpha-hexahydro-6-((4-hydroxybenzoyl)oxy)-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-((4-hydroxybenzoyl)oxy)-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))-
  • catalposide
  • hydroxybenzoyl catalpol
CAS Number(s)
  • 6736-85-2
InChIKey UXSACQOOWZMGSE-RWORTQBESA-N
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