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Substance Name: Punicalin
RN: 65995-64-4
InChIKey: IQHIEHIKNWLKFB-ITTSEVFZSA-N

Note

  • Hepatoprotective agent isolated from Terminalia catappa.

Molecular Formula

  • C34-H22-O22

Molecular Weight

  • 782.5258
 
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Names and Synonyms

Name of Substance

  • Punicalin

Synonyms

  • NSC 636591
  • Punicalin

Systematic Name

  • D-Glucose, cyclic 4,6-(2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-1,6-diyl)bis(3,4,5-trihydroxybenzoate)), (4(S,S))-

Registry Numbers

CAS Registry Number

  • 65995-64-4

System Generated Number

  • 0065995644

Structure Descriptors

InChI

1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34-/m1/s1

InChIKey

IQHIEHIKNWLKFB-ITTSEVFZSA-N

Smiles

O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c4c(O)c(O)c5OC(=O)c6c(c(O)c(O)c7OC(=O)c4c5c67)c8c(O)c(O)c(O)cc8C(=O)O[C@H]2[C@H](O)[C@H]1O