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Substance Name: Esculentic acid
RN: 56283-68-2
InChIKey: CLXOLTFMHAXJST-GOYMLYASSA-N

Note

  • From the root of Phytolacca esculenta; protects against endotoxic shock.

Molecular Formula

  • C30-H46-O6

Molecular Weight

  • 502.687
 
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Names and Synonyms

Results Name

  • Esculentic acid

Synonyms

  • Esculentic acid
  • Esculentic acid (Phytolacca)

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 3,23-dihydroxy-, (3beta,4alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 56283-68-2

System Generated Number

  • 0056283682

Structure Descriptors

InChI

1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19-,20?,21-,22+,25-,26+,27+,28-,29-,30+/m1/s1

InChIKey

CLXOLTFMHAXJST-GOYMLYASSA-N

Smiles

C1[C@@H]([C@](CO)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@](C)(C(=O)O)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O