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Substance Name: 3,7-Dihydroxy-24-norcholane-23-sulfonate
RN: 145523-79-1
InChIKey: NTBYMHPNFQILPA-VEPRGJRUSA-N

Molecular Formula

  • C23-H40-O5-S

Molecular Weight

  • 428.63
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-24-norcholane-23-sulfonate

Synonyms

  • 3alpha,7alpha-Dihydroxy-24-nor-5beta-cholane-23-sulfonate
  • 3alpha,7beta-Dihydroxy-24-nor-5beta-cholane-23-sulfonate
  • Norcdc-sul
  • Norudc-SO3Na

Systematic Name

  • 24-Norcholane-23-sulfonic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 145523-79-1

System Generated Number

  • 0145523791

Structure Descriptors

InChI

1S/C23H40O5S/c1-14(8-11-29(26,27)28)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(24)12-15(22)13-20(21)25/h14-21,24-25H,4-13H2,1-3H3,(H,26,27,28)/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1

InChIKey

NTBYMHPNFQILPA-VEPRGJRUSA-N

Smiles

C1[C@@H](O)C[C@@H]2[C@@](C)(C1)[C@@H]1[C@@H]([C@@H](C2)O)[C@@H]2CC[C@@H]([C@@]2(C)CC1)[C@@H](CCS(=O)(=O)O)C