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Substance Name: Methyl 7-ketocholate
RN: 10538-65-5
UNII: YZO7HX16N0
InChIKey: BCPZDSVCYKERMU-CDKLUHQYSA-N

Molecular Weight

  • 420.586
 
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Names and Synonyms

Name of Substance

  • Methyl 7-ketocholate

Synonyms

  • Methyl 3alpha,12alpha-dihydroxy-7-oxo-5beta-Cholan-24-oate
  • UNII-YZO7HX16N0

Systematic Name

  • 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-7-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 10538-65-5

FDA UNII

  • YZO7HX16N0

System Generated Number

  • 0010538655

Structure Descriptors

InChI

1S/C25H40O5/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/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,21+,23+,24+,25-/m1/s1

InChIKey

BCPZDSVCYKERMU-CDKLUHQYSA-N

Smiles

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