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Substance Name: Kelletinin A
RN: 112727-22-7
InChIKey: VWTLXEPPPUFDHF-SGIQEJNWSA-N

Note

  • From marine mollusc Buccinulum corneum.

Molecular Formula

  • C40-H32-O15

Molecular Weight

  • 752.678
 
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Names and Synonyms

Name of Substance

  • Kelletinin A

Synonym

  • Ribityl pentakis(4-hydroxybenzoate)

Systematic Name

  • Ribitol, pentakis(4-hydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 112727-22-7

System Generated Number

  • 0112727227

Structure Descriptors

InChI

1S/C40H32O15/c41-28-11-1-23(2-12-28)36(46)51-21-33(53-38(48)25-5-15-30(43)16-6-25)35(55-40(50)27-9-19-32(45)20-10-27)34(54-39(49)26-7-17-31(44)18-8-26)22-52-37(47)24-3-13-29(42)14-4-24/h1-20,33-35,41-45H,21-22H2/t33-,34+,35-

InChIKey

VWTLXEPPPUFDHF-SGIQEJNWSA-N

Smiles

C([C@@H]([C@@H]([C@@H](COC(c1ccc(cc1)O)=O)OC(c1ccc(cc1)O)=O)OC(c1ccc(cc1)O)=O)OC(c1ccc(cc1)O)=O)OC(c1ccc(cc1)O)=O