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Substance Name: 28-O-Glucopyranosylepiederagenin
RN: 146728-78-1
InChIKey: WJMMBVSOQPALFO-ZHMISSTASA-N

Note

  • Isolated from Ullucus tuberosus.

Molecular Formula

  • C36-H58-O9

Molecular Weight

  • 634.845
 
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Names and Synonyms

Name of Substance

  • 28-O-Glucopyranosylepiederagenin

Synonym

  • 28-Glu-epiederagenin

Systematic Name

  • Olean-12-en-28-oic acid, 3,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4beta)-

Registry Numbers

CAS Registry Number

  • 146728-78-1

System Generated Number

  • 0146728781

Structure Descriptors

InChI

1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33+,34+,35+,36-/m0/s1

InChIKey

WJMMBVSOQPALFO-ZHMISSTASA-N

Smiles

C1[C@H](O)[C@@](CO)(C)[C@H]2[C@@](C)([C@H]3CC=C4[C@@]([C@]3(C)CC2)(C)CC[C@@]2(C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)[C@H]4CC(C)(C)CC2)C1