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Substance Name: Cholestane-3,7,12,24,25,26-hexol
RN: 110612-30-1
InChIKey: BUVRTWKYVCCTJS-TXXXLBLZSA-N

Molecular Formula

  • C27-H48-O6

Molecular Weight

  • 468.6702
 
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Names and Synonyms

Name of Substance

  • Cholestane-3,7,12,24,25,26-hexol

Synonyms

  • 5beta-Cholestane-3-alpha,7alpha,12alpha,24,25,26-hexol
  • 5beta-Cholestanehexol

Systematic Name

  • Cholestane-3,7,12,24,25,26-hexol, (3alpha,5beta,7alpha,12alpha,24S)-

Registry Numbers

CAS Registry Number

  • 110612-30-1

System Generated Number

  • 0110612301

Structure Descriptors

InChI

1S/C27H48O6/c1-15(5-8-22(31)26(3,33)14-28)18-6-7-19-24-20(13-23(32)27(18,19)4)25(2)10-9-17(29)11-16(25)12-21(24)30/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,25+,26?,27-/m1/s1

InChIKey

BUVRTWKYVCCTJS-TXXXLBLZSA-N

Smiles

C[C@H](CC[C@@H](C(C)(CO)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