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Substance Name: Macedonic acid methyl ester
RN: 38987-84-7
InChIKey: RPZZWTJIBLMBTQ-PLAUNNMJSA-N

Note

  • From Glycyrrhiza paliddiflora Maxim.

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.7162
 
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Names and Synonyms

Name of Substance

  • Macedonic acid methyl ester

Systematic Name

  • Oleana-11,13(18)-dien-29-oic acid, 3,21-dihydroxy-, methyl ester, (3beta,20alpha,21alpha)-

Registry Numbers

CAS Registry Number

  • 38987-84-7

System Generated Number

  • 0038987847

Structure Descriptors

InChI

1S/C31H48O4/c1-26(2)21-11-14-31(7)22(28(21,4)13-12-23(26)32)10-9-19-20-17-29(5,25(34)35-8)24(33)18-27(20,3)15-16-30(19,31)6/h9-10,21-24,32-33H,11-18H2,1-8H3/t21-,22+,23-,24+,27-,28-,29-,30+,31+/m0/s1

InChIKey

RPZZWTJIBLMBTQ-PLAUNNMJSA-N

Smiles

C[C@@]12CC[C@@]3(C(=C1C[C@]([C@@H](C2)O)(C)C(=O)OC)C=C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C