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Substance Name: Chebulinic acid
RN: 18942-26-2
InChIKey: YGVHOSGNOYKRIH-FJPMMHPYSA-N

Note

  • One of the allagitannins in the seeds of Euphoria longana.

Molecular Formulas

  • C41-H32-O27
  • C41-H34-O28

Molecular Weight

  • 956.677
 
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Names and Synonyms

Name of Substance

  • Chebulinic acid

Synonyms

  • Chebulinic acid
  • NSC 69862

Systematic Name

  • beta-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)-4-hydroxy-1,2,4-butanetricarboxylic acid, 1,3,6-tris(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 18942-26-2

System Generated Number

  • 0018942262

Structure Descriptors

InChI

1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1

InChIKey

YGVHOSGNOYKRIH-FJPMMHPYSA-N

Smiles

c12c3C(O[C@@H]4[C@H]([C@H](OC([C@H](CC(=O)O)[C@@H]2[C@H](O)C(Oc1c(c(c3)O)O)=O)=O)[C@H](O[C@H]4OC(c1cc(O)c(c(c1)O)O)=O)COC(c1cc(c(O)c(c1)O)O)=O)OC(c1cc(O)c(c(c1)O)O)=O)=O