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Substance Name: Tetraethylammonium ((5beta)-3alpha,7alpha,12alpha)-trihydroxycholan-24-oate
RN: 70008-57-0
InChIKey: KIHDCQQFWYWCDR-VARYBCSTSA-M

Molecular Formula

  • C24-H39-O5.C8-H20-N

Molecular Weight

  • 537.8201
 
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Names and Synonyms

Synonym

  • EINECS 274-253-2

Systematic Name

  • Tetraethylammonium ((5beta)-3alpha,7alpha,12alpha)-trihydroxycholan-24-oate

Registry Numbers

CAS Registry Number

  • 70008-57-0

System Generated Number

  • 0070008570

Molecular Formulas

Molecular Formula

  • C24-H39-O5.C8-H20-N

Molecular Formula Fragments

  • C24-H39-O5
  • C8-H20-N
  • COMPONENT

Structure Descriptors

InChI

1S/C24H40O5.C8H20N/c1-14(4-9-21(26)27)17-7-8-18-16-6-5-15-12-24(28,29)20(25)13-23(15,3)19(16)10-11-22(17,18)2;1-5-9(6-2,7-3)8-4/h14-20,25,28-29H,4-13H2,1-3H3,(H,26,27);5-8H2,1-4H3/q;+1/p-1/t14-,15-,16?,17-,18?,19?,20?,22-,23+;/m1./s1

InChIKey

KIHDCQQFWYWCDR-VARYBCSTSA-M

Smiles

CC[N+](CC)(CC)CC.C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC(C(C4)(O)O)O)C)C