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Substance Name: Myriceron caffeoyl ester
RN: 142877-49-4
InChIKey: RHAKBYCTYSBWIE-QWZNMBRFSA-N

Note

  • A novel non-peptide endothelin antagonist isolated from bayberry, Myrica cerifera.

Molecular Formula

  • C39-H52-O7

Molecular Weight

  • 632.8328
 
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Names and Synonyms

Name of Substance

  • Myriceron caffeoyl ester

Synonyms

  • 27((3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3-oxoolean-12-en-28-oic acid
  • 50-235

Systematic Name

  • Olean-12-en-28-oic acid, 27((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3-oxo-

Registry Numbers

CAS Registry Number

  • 142877-49-4

System Generated Number

  • 0142877494

Structure Descriptors

InChI

1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1

InChIKey

RHAKBYCTYSBWIE-QWZNMBRFSA-N

Smiles

C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/c6ccc(c(c6)O)O)C)(C)C