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Substance Name: Methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate
RN: 71837-87-1
InChIKey: MWUBEKFSCVGPKW-OYYDADKJSA-N

Molecular Formula

  • C27-H42-O6

Molecular Weight

  • 462.6228
 
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Names and Synonyms

Synonym

  • EINECS 276-058-8

Systematic Name

  • Methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate

Registry Numbers

CAS Registry Number

  • 71837-87-1

System Generated Number

  • 0071837871

Structure Descriptors

InChI

1S/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,25+,26+,27-/m1/s1

InChIKey

MWUBEKFSCVGPKW-OYYDADKJSA-N

Smiles

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OC(=O)C)C