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Substance Name: Selligueain A
RN: 152378-18-2
InChIKey: PMDYNLFGCCRGRX-NSJNBNEDSA-N

Note

  • A proanthocyanidin isolated from the rhizomes of Selliguea feei.

Molecular Weight

  • 816.764
 
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Names and Synonyms

Name of Substance

  • Selligueain A

Synonyms

  • Epiafzelechin-(4beta-8,2beta-0-7)-epiafzelechin-(4beta-8)-afzelechin
  • Selligueain A

Systematic Name

  • 8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 4-(3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl)-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R-(2alpha,3alpha,4beta(2R*,3S*),8beta,14beta,15R*))-

Registry Numbers

CAS Registry Number

  • 152378-18-2

System Generated Number

  • 0152378182

Structure Descriptors

InChI

1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38-,39+,40+,41+,44?,45+/m0/s1

InChIKey

PMDYNLFGCCRGRX-NSJNBNEDSA-N

Smiles

c1([C@@H]2[C@H]([C@H](Oc3c4[C@@H]5c6c(O[C@@](Oc4cc(O)c23)(c2ccc(cc2)O)[C@@H]5O)cc(cc6O)O)c2ccc(cc2)O)O)c(O)cc(c2C[C@H](O)[C@@H](c3ccc(O)cc3)Oc12)O