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Substance Name: Yiyeliangwanoside III
RN: 141039-75-0
InChIKey: PWDRYGNPXJGTOQ-UFHAFJQVSA-N

Note

  • Isolated from the bark of Nothopanax davidii.

Molecular Weight

  • 1173.3
 
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Names and Synonyms

Name of Substance

  • Yiyeliangwanoside III

Synonym

  • 3-O-alpha(2',4'-O-Diacetyl)-L-arabinopyranosyl-3beta-hydroxyolean-12-ene-28,29-dioic acid-28-O-(alpha-L-ramnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl) ester

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 3-((2,4-di-O-acetyl-alpha-L-arabinopyranosyl)oxy)-, 28-(O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl) ester, (3beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 141039-75-0

System Generated Number

  • 0141039750

Structure Descriptors

InChI

1S/C57H88O25/c1-24-35(62)39(66)41(68)46(74-24)80-43-37(64)30(22-59)78-49(45(43)81-47-42(69)40(67)36(63)29(21-58)77-47)82-51(72)57-18-16-53(6,50(70)71)20-28(57)27-10-11-33-54(7)14-13-34(52(4,5)32(54)12-15-56(33,9)55(27,8)17-19-57)79-48-44(76-26(3)61)38(65)31(23-73-48)75-25(2)60/h10,24,28-49,58-59,62-69H,11-23H2,1-9H3,(H,70,71)/t24-,28+,29+,30+,31-,32?,33+,34-,35-,36+,37+,38-,39+,40-,41+,42+,43-,44+,45+,46-,47+,48-,49+,53?,54-,55+,56+,57-/m0/s1

InChIKey

PWDRYGNPXJGTOQ-UFHAFJQVSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@@H]6[C@H](O[C@@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)[C@@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@@H](O7)C)[C@H](O)[C@H](O6)CO)CC[C@@](C)(C(=O)O)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](OC(=O)C)[C@@H](O)[C@@H](OC(=O)C)CO1