Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Casuarinin
RN: 79786-01-9
InChIKey: MMQXBTULXAEKQE-UHFFFAOYSA-N

Note

  • A hydrolyzable tannin from the bark of Terminalia arjuna (Combretaceae).

Molecular Formula

  • C41-H28-O26

Molecular Weight

  • 936.646
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Casuarinin

Synonym

  • Casuarinin

Systematic Name

  • Neovescalin, 11-de(6-carboxy-2,3,4-trihydroxyphenyl)-, cyclic 16,18-(4,4',5,5',6,6'-hexahydroxy(1,1-biphenyl)-2,2'-dicarboxylate) 17-(3,4,5-trihydroxybenzoate), (15beta)-

Registry Numbers

CAS Registry Number

  • 79786-01-9

System Generated Number

  • 0079786019

Structure Descriptors

InChI

1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2

InChIKey

MMQXBTULXAEKQE-UHFFFAOYSA-N

Smiles

c1(c(c2c(cc1O)C(O[C@@H]([C@@H]1OC(c3c2c(c(c(c3[C@@H]1O)O)O)O)=O)[C@@H]1OC(c2c(c3c(c(c(cc3C(=O)OC[C@@H]1OC(c1cc(O)c(O)c(O)c1)=O)O)O)O)c(c(c(c2)O)O)O)=O)=O)O)O