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Substance Name: Cholestane-3,7,12,25-tetrol
RN: 18866-87-0
InChIKey: NTIXPPFPXLYJCT-RNUSRIHUSA-N

Note

  • Bile alcohol.

Molecular Formula

  • C27-H48-O4

Molecular Weight

  • 436.6722
 
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Names and Synonyms

Name of Substance

  • Cholestane-3,7,12,25-tetrol

Synonyms

  • 5beta-Cholestane-3alpha,7alpha,12alpha,25-tetrol
  • 5beta-Cholestane-3beta,7alpha,12alpha,25-tetrol

Systematic Name

  • Cholestane-3,7,12,25-tetrol, (3alpha,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 18866-87-0

System Generated Number

  • 0018866870

Structure Descriptors

InChI

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

InChIKey

NTIXPPFPXLYJCT-RNUSRIHUSA-N

Smiles

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C