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Substance Name: Neoarctin B
RN: 155969-67-8
UNII: 224E4X4191
InChIKey: TYEFCPJCPSRVMT-DSOCELCXSA-N

Note

  • From seeds of Arctium lappa.

Molecular Formula

  • C42-H46-O12

Molecular Weight

  • 742.8134
 
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Names and Synonyms

Name of Substance

  • Neoarctin B

Synonyms

  • (-)-Neoarctin B
  • Neoarctin B
  • UNII-224E4X4191

Systematic Names

  • 2(3H)-Furanone, 4,4'-((2,2'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(methylene))bis(dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-, (3alpha,4beta(3'R*,4'R*))-(-)-
  • 2(3H)-Furanone, 4,4'-((2,2'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(methylene))bis(dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-, (3R,3'R,4R,4'R)-rel-(-)-

Registry Numbers

CAS Registry Number

  • 155969-67-8

FDA UNII

  • 224E4X4191

System Generated Number

  • 0155969678

Structure Descriptors

InChI

1S/C42H46O12/c1-47-33-15-23(11-27-21-53-41(45)31(27)13-25-17-35(49-3)39(43)36(18-25)50-4)7-9-29(33)30-10-8-24(16-34(30)48-2)12-28-22-54-42(46)32(28)14-26-19-37(51-5)40(44)38(20-26)52-6/h7-10,15-20,27-28,31-32,43-44H,11-14,21-22H2,1-6H3/t27-,28-,31+,32+/m0/s1

InChIKey

TYEFCPJCPSRVMT-DSOCELCXSA-N

Smiles

COc1cc(ccc1c2ccc(cc2OC)C[C@H]3COC(=O)[C@@H]3Cc4cc(c(c(c4)OC)O)OC)C[C@H]5COC(=O)[C@@H]5Cc6cc(c(c(c6)OC)O)OC