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Substance Name: Methyl 3alpha,7alpha-diacetyloxy-12-hydroxyimino-5beta-cholanate
RN: 21066-27-3
UNII: 24RD966H3F
InChIKey: TTZSPMGUTFARRI-ZNYVGMLLSA-N

Molecular Formula

  • C29-H45-N-O7

Molecular Weight

  • 519.6745
 
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Names and Synonyms

Name of Substance

  • Methyl 3alpha,7alpha-diacetyloxy-12-hydroxyimino-5beta-cholanate

Synonyms

  • 5beta-Cholan-24-oic acid, 3alpha,7alpha-dihydroxy-12-oxo-, methyl ester, 12-oxime, diacetate (ester)
  • Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-(hydroxyimino)-, methyl ester, (3alpha,5beta,7alpha)-
  • Methyl 3alpha,7alpha-diacetyloxy-12-hydroxyimino-5beta-cholanate
  • UNII-24RD966H3F

Registry Numbers

CAS Registry Number

  • 21066-27-3

FDA UNII

  • 24RD966H3F

System Generated Number

  • 0021066273

Structure Descriptors

InChI

1S/C29H45NO7/c1-16(7-10-26(33)35-6)21-8-9-22-27-23(15-25(30-34)29(21,22)5)28(4)12-11-20(36-17(2)31)13-19(28)14-24(27)37-18(3)32/h16,19-24,27,34H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1

InChIKey

TTZSPMGUTFARRI-ZNYVGMLLSA-N

Smiles

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC(=NO)[C@]12C)OC(=O)C)OC(=O)C