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Substance Name: Cholestane-3,7,12,24,25-pentol
RN: 58580-61-3
InChIKey: NHPWQASMMFUHIZ-YBMOUMCLSA-N

Molecular Formula

  • C27-H48-O5

Molecular Weight

  • 452.6712
 
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Names and Synonyms

Name of Substance

  • Cholestane-3,7,12,24,25-pentol

Synonym

  • 5-beta-Cholestane-3alpha,7alpha,12alpha,24beta,25-pentol

Systematic Name

  • Cholestan-3,7,12,24,25-pentol, (3alpha,5beta,7alpha,12alpha,24S)-

Registry Numbers

CAS Registry Number

  • 58580-61-3

System Generated Number

  • 0058580613

Structure Descriptors

InChI

1S/C27H48O5/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/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1

InChIKey

NHPWQASMMFUHIZ-YBMOUMCLSA-N

Smiles

C[C@H](CC[C@@H](C(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