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Substance Name: 15-Demethyl plumieride
RN: 133738-37-1
InChIKey: XFIOZCMKPNZOII-RJMCEWFISA-N

Molecular Formula

  • C20-H24-O12

Molecular Weight

  • 456.3976
 
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Names and Synonyms

Results Name

  • 15-Demethyl plumieride

Synonyms

  • 15-Demethyl plumieride
  • Iridoid

Systematic Name

  • Spiro(cyclopenta(c)pyran-7(1H),2'(5'H)-furan)-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4'-(hydroxymethyl)-5'-oxo-, methyl ester, (1S-(1alpha,4aalpha,7a,7aalpha))-

Registry Numbers

CAS Registry Number

  • 133738-37-1

System Generated Number

  • 0133738371

Structure Descriptors

InChI

1S/C20H24O12/c1-28-17(27)10-7-29-18(31-19-15(25)14(24)13(23)11(6-22)30-19)12-9(10)2-3-20(12)4-8(5-21)16(26)32-20/h2-4,7,9,11-15,18-19,21-25H,5-6H2,1H3/t9-,11-,12-,13-,14+,15-,18+,19+,20-/m1/s1

InChIKey

XFIOZCMKPNZOII-RJMCEWFISA-N

Smiles

COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@@]23C=C(C(=O)O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O