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Substance Name: Methyl cholate
RN: 1448-36-8
UNII: E1P59HQX4Q
InChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-N

Molecular Formula

  • C25-H42-O5

Molecular Weight

  • 422.6018
 
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Names and Synonyms

Name of Substance

  • Methyl cholate

Synonyms

  • cholic acid, methyl ester
  • EC 215-903-7
  • EINECS 215-903-7
  • Methyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-ate
  • NSC 126794
  • UNII-E1P59HQX4Q

Systematic Name

  • Methyl cholate

Registry Numbers

CAS Registry Number

  • 1448-36-8

FDA UNII

  • E1P59HQX4Q

Other Registry Number

  • 120909-93-5

System Generated Number

  • 0001448368

Structure Descriptors

InChI

1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1

InChIKey

DLYVTEULDNMQAR-SRNOMOOLSA-N

Smiles

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