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Substance Name: Punicalagin
RN: 65995-63-3
InChIKey: SKNLUADAGHCXKF-UHFFFAOYSA-N

Note

  • Hepatoprotective agent isolated from Terminalia catappa.

Molecular Formula

  • C48-H28-O30

Molecular Weight

  • 1084.7192
 
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Names and Synonyms

Name of Substance

  • Punicalagin

Synonyms

  • HSDB 8106
  • Punicalagin

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)) cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-, (2(S),4(S,S))-

Registry Numbers

CAS Registry Number

  • 65995-63-3

System Generated Number

  • 0065995633

Structure Descriptors

InChI

1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2

InChIKey

SKNLUADAGHCXKF-UHFFFAOYSA-N

Smiles

c1c2c(c(c(c1O)O)O)-c3c4c5c6c(c(c(c(c6oc4=O)O)O)-c7c(cc(c(c7O)O)O)C(=O)OC(C(COC2=O)O)C8C(OC(=O)c9cc(c(c(c9-c1c(cc(c(c1O)O)O)C(=O)O8)O)O)O)C=O)c(=O)oc5c(c3O)O