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Substance Name: Ursodeoxycholic acid 7-oleyl ester
RN: 85572-47-0
InChIKey: GFBWAJZDUSICON-NEVFELTPSA-N

Molecular Formula

  • C42-H72-O5

Molecular Weight

  • 657.026
 
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Names and Synonyms

Name of Substance

  • Ursodeoxycholic acid 7-oleyl ester

Synonym

  • 7-Oleyl-udca

Systematic Name

  • Cholan-24-oic acid, 3-hydroxy-7-((1-oxo-9-octadecenyl)oxy)-, (3alpha,5beta,7beta(Z))-

Registry Numbers

CAS Registry Number

  • 85572-47-0

System Generated Number

  • 0085572470

Structure Descriptors

InChI

1S/C42H72O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(46)47-37-30-32-29-33(43)25-27-41(32,3)36-26-28-42(4)34(22-23-35(42)40(36)37)31(2)21-24-38(44)45/h12-13,31-37,40,43H,5-11,14-30H2,1-4H3,(H,44,45)/b13-12-/t31-,32+,33-,34+,35+,36+,37+,40+,41+,42-/m1/s1

InChIKey

GFBWAJZDUSICON-NEVFELTPSA-N

Smiles

C1[C@H](C[C@H]2C[C@@H]([C@H]3[C@@H]4CC[C@H]([C@@H](CCC(=O)O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(CCCCCCC\C=C/CCCCCCCC)=O)O