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Substance Name: Olean-12-en-28-oic acid, 3-((6-O-acetyl-beta-D-glucopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
RN: 126622-41-1
InChIKey: VBPRYVPCTXJOKZ-CPHHAKLGSA-N

Molecular Weight

  • 676.882
 
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Names and Synonyms

  • Olean-12-en-28-oic acid, 3-((6-O-acetyl-beta-D-glucopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 126622-41-1

System Generated Number

  • 0126622411

Structure Descriptors

InChI

1S/C38H60O10/c1-21(40)46-19-24-28(41)29(42)30(43)31(47-24)48-27-11-12-34(4)25(35(27,5)20-39)10-13-37(7)26(34)9-8-22-23-18-33(2,3)14-16-38(23,32(44)45)17-15-36(22,37)6/h8,23-31,39,41-43H,9-20H2,1-7H3,(H,44,45)/t23-,24-,25?,26-,27+,28-,29+,30-,31+,34+,35?,36-,37-,38+/m1/s1

InChIKey

VBPRYVPCTXJOKZ-CPHHAKLGSA-N

Smiles

C1[C@@H]([C@@](CO)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(=O)C