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Substance Name: 3,7,12,23-Tetrahydroxycholestanoic acid
RN: 121500-92-3
InChIKey: MWMOIWJQWNZGCC-JWHXAKKUSA-N

Note

  • Found in urine of patient with Zellweger's syndrome.

Molecular Weight

  • 466.6544
 
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Names and Synonyms

Name of Substance

  • 3,7,12,23-Tetrahydroxycholestanoic acid

Synonyms

  • 3,7,12,23-THCA
  • 3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestanoic acid

Registry Numbers

CAS Registry Number

  • 121500-92-3

System Generated Number

  • 0121500923

Structure Descriptors

InChI

1S/C27H46O6/c1-14(9-18(29)10-15(2)25(32)33)19-5-6-20-24-21(13-23(31)27(19,20)4)26(3)8-7-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16?,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey

MWMOIWJQWNZGCC-JWHXAKKUSA-N

Smiles

C[C@H](C[C@@H](CC(C)C(=O)O)O)[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