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Substance Name: Glyyunnansapogenin B
RN: 131177-50-9
InChIKey: ZXWLSOQCDSAYHO-CXPCWDADSA-N

Note

  • From roots of Glycyrrhiza yunnanensis.

Molecular Weight

  • 488.704
 
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Names and Synonyms

Name of Substance

  • Glyyunnansapogenin B

Synonym

  • 3beta,21alpha,24-Trihydroxyolean-12-en-30-oic acid

Systematic Name

  • Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20beta,21alpha)-

Registry Numbers

CAS Registry Number

  • 131177-50-9

System Generated Number

  • 0131177509

Structure Descriptors

InChI

1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23-,25+,26+,27+,28-,29-,30-/m1/s1

InChIKey

ZXWLSOQCDSAYHO-CXPCWDADSA-N

Smiles

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