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Substance Name: Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester
RN: 73771-71-8
InChIKey: IEGZAMNMNIJBBM-AMHABCAISA-N

Molecular Formula

  • C28-H44-O6

Molecular Weight

  • 476.6496
 
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Names and Synonyms

Synonyms

  • 3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oic acid, methyl ester
  • Methyl 3-alpha-carbethoxy-12-alpha-hydroxy-7-ketocholanate

Systematic Name

  • Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 73771-71-8

System Generated Number

  • 0073771718

Structure Descriptors

InChI

1S/C28H44O6/c1-6-34-26(32)17-11-12-27(3)18(13-17)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,23,25,30H,6-15H2,1-5H3/t16-,17-,18?,19-,20+,21+,23+,25+,27+,28-/m1/s1

InChIKey

IEGZAMNMNIJBBM-AMHABCAISA-N

Smiles

CCOC(=O)[C@@H]1CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3C(=O)CC2C1)CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04552,