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Substance Name: Ethyl N-((3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)aminoacetate
RN: 94006-05-0
InChIKey: IUMZSPQFQUFAHS-CWDNZPLVSA-N

Molecular Formula

  • C28-H47-N-O6

Molecular Weight

  • 493.6803
 
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Names and Synonyms

Synonym

  • EINECS 301-341-0

Systematic Name

  • Ethyl N-((3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)aminoacetate

Registry Numbers

CAS Registry Number

  • 94006-05-0

System Generated Number

  • 0094006050

Structure Descriptors

InChI

1S/C28H47NO6/c1-5-35-25(34)15-29-24(33)9-6-16(2)19-7-8-20-26-21(14-23(32)28(19,20)4)27(3)11-10-18(30)12-17(27)13-22(26)31/h16-23,26,30-32H,5-15H2,1-4H3,(H,29,33)/t16-,17?,18-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1

InChIKey

IUMZSPQFQUFAHS-CWDNZPLVSA-N

Smiles

CCOC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C