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Substance Name: Lappaol F
RN: 69394-17-8
UNII: 5CE539C44W
InChIKey: YXNKOCZXAVTXTG-NYGVLQSXSA-N

Note

  • An antineoplastic agent isolated from the plant Arctium lappa.

Molecular Formula

  • C40-H42-O12

Molecular Weight

  • 714.7598
 
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Names and Synonyms

Name of Substance

  • Lappaol F

Synonyms

  • 2(3H)-Furanone, 3,4-bis(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)dihydro-, (3R,4R)-
  • Lappaol F
  • UNII-5CE539C44W

Registry Numbers

CAS Registry Number

  • 69394-17-8

FDA UNII

  • 5CE539C44W

System Generated Number

  • 0069394178

Structure Descriptors

InChI

1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1

InChIKey

YXNKOCZXAVTXTG-NYGVLQSXSA-N

Smiles

COc1cc(ccc1O)[C@@H]2[C@H](c3cc(cc(c3O2)OC)C[C@H]4COC(=O)[C@@H]4Cc5cc6c(c(c5)OC)O[C@@H]([C@H]6CO)c7ccc(c(c7)OC)O)CO