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Substance Name: Plumieride
RN: 511-89-7
UNII: 71A048XW8V
InChIKey: AOPMSFXOYJXDNJ-IRFSQMTFSA-N

Note

  • From Allamanda cathartica & Himatanthus fallax.

Molecular Formula

  • C21-H26-O12

Molecular Weight

  • 470.424
 
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Names and Synonyms

Name of Substance

  • Plumieride

Synonyms

  • Plumieride
  • UNII-71A048XW8V

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 511-89-7

FDA UNII

  • 71A048XW8V

System Generated Number

  • 0000511897

Structure Descriptors

InChI

1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1

InChIKey

AOPMSFXOYJXDNJ-IRFSQMTFSA-N

Smiles

C=1([C@@H]2[C@@H]([C@]3(C=C([C@@H](O)C)C(O3)=O)C=C2)[C@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)O)OC1)C(=O)OC