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Substance Name: Cholestane-3,7,12,26-tetrol
RN: 862-53-3
InChIKey: XJZGNVBLVFOSKJ-XZULNKEGSA-N

Note

  • Precursor of cholic acid biosyn in man.

Molecular Weight

  • 436.672
 
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Names and Synonyms

Name of Substance

  • Cholestane-3,7,12,26-tetrol

Synonyms

  • 5-CTTL
  • 5beta-Cholestane 3alpha,7alpha,12alpha,27-tetrol
  • 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol
  • Cholestane-3,7,12,26(27)-tetrol
  • Cholestane-3,7,12,27-tetrol

Systematic Name

  • (3alpha,5beta,7alpha,12alpha)-Cholestane-3,7,12,26-tetrol

Registry Numbers

CAS Registry Number

  • 862-53-3

System Generated Number

  • 0000862533

Structure Descriptors

InChI

1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

XJZGNVBLVFOSKJ-XZULNKEGSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CCC[C@@H](CO)C)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)O)O