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Substance Name: 27-Norcholestane-3,7,12,24,25-pentol
RN: 78648-95-0
InChIKey: UBCPEZWGUOSYHO-JAPSQKQGSA-N

Note

  • Bile alcohol found in urine.

Molecular Formula

  • C26-H46-O5

Molecular Weight

  • 438.6444
 
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Names and Synonyms

Name of Substance

  • 27-Norcholestane-3,7,12,24,25-pentol

Synonyms

  • 26(or 27)-Norcholestane-3,7,12,24,25-pentol
  • 27-NC-3,7,12,24,25-PO
  • 27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol

Systematic Name

  • 27-Norcholestane-3,7,12,24,25-pentol, (3alpha,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 78648-95-0

System Generated Number

  • 0078648950

Structure Descriptors

InChI

1S/C26H46O5/c1-14(5-8-21(29)15(2)27)18-6-7-19-24-20(13-23(31)26(18,19)4)25(3)10-9-17(28)11-16(25)12-22(24)30/h14-24,27-31H,5-13H2,1-4H3/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,25+,26-/m1/s1

InChIKey

UBCPEZWGUOSYHO-JAPSQKQGSA-N

Smiles

C[C@H](CCC(C(C)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C