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Substance Name: Agnuside
RN: 11027-63-7
UNII: JB24Q0OT9G
InChIKey: GLACGTLACKLUJX-QNAXTHAFSA-N

Note

  • Isolated from Vitex peduncularis.

Molecular Formula

  • C22-H26-O11

Molecular Weight

  • 466.4364
 
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Names and Synonyms

Name of Substance

  • Agnuside

Synonyms

  • (-)-Buddlejoside A
  • Agnoside
  • Agnuside
  • Buddlejoside A
  • UNII-JB24Q0OT9G

Registry Numbers

CAS Registry Number

  • 11027-63-7

FDA UNII

  • JB24Q0OT9G

Other Registry Numbers

  • 31712-40-0
  • 37264-64-5
  • 40737-96-0

System Generated Number

  • 0011027637

Structure Descriptors

InChI

1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1

InChIKey

GLACGTLACKLUJX-QNAXTHAFSA-N

Smiles

c1cc(ccc1C(=O)OCC2=C[C@H]([C@H]3[C@@H]2[C@@H](OC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O