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Substance Name: 3,7,12,25-Tetrahydroxycholestan-24-one
RN: 82280-61-3
InChIKey: CFVCOEMVLNMDAX-LIIZXMBISA-N

Note

  • Intermediate in the 25-hydroxylation pathway of cholic acid biosynthesis from cholesterol.

Molecular Weight

  • 450.6554
 
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Names and Synonyms

Name of Substance

  • 3,7,12,25-Tetrahydroxycholestan-24-one

Synonyms

  • 3,7,12,25-THCHO
  • 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestan-24-one

Systematic Name

  • Cholestan-24-one, 3,7,12,25-tetrahydroxy-, (3alpha,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 82280-61-3

System Generated Number

  • 0082280613

Structure Descriptors

InChI

1S/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,26+,27-/m1/s1

InChIKey

CFVCOEMVLNMDAX-LIIZXMBISA-N

Smiles

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