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Substance Name: 3,7-Dihydroxy-25-homocholane-25-sulfonate
RN: 145523-80-4
InChIKey: IANJIVUFAULQJH-SHUSUIPQSA-N

Molecular Formula

  • C25-H44-O5-S

Molecular Weight

  • 456.684
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-25-homocholane-25-sulfonate

Synonyms

  • 3alpha,7alpha-Dihydroxy-25-homo-5beta-cholane-25-sulfonate
  • Homocdc-sul

Systematic Name

  • 26,27-Dinorcholestane-25-sulfonic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 145523-80-4

System Generated Number

  • 0145523804

Structure Descriptors

InChI

1S/C25H44O5S/c1-16(6-4-5-13-31(28,29)30)19-7-8-20-23-21(10-12-25(19,20)3)24(2)11-9-18(26)14-17(24)15-22(23)27/h16-23,26-27H,4-15H2,1-3H3,(H,28,29,30)/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1

InChIKey

IANJIVUFAULQJH-SHUSUIPQSA-N

Smiles

S(=O)(CCCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(CC[C@@H](O)C[C@H]3C[C@H](O)[C@@H]21)C)C)(=O)O