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Substance Name: Cholestan-3,6-diyl disulfate
RN: 141677-53-4
InChIKey: LSZOEUUICRWOTO-JFEUVQKDSA-L

Molecular Weight

  • 608.764
 
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Names and Synonyms

Name of Substance

  • Cholestan-3,6-diyl disulfate

Synonyms

  • 5alpha-Cholestan-3beta,6alpha-diyl disulfate
  • Cholest-3,6-di-SO4
  • Cholestan-3,6-diyl disulfate, disodium salt

Registry Numbers

CAS Registry Number

  • 141677-53-4

System Generated Number

  • 0141677534

Structure Descriptors

InChI

1S/C27H48O8S2.2Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(35-37(31,32)33)24-15-19(34-36(28,29)30)11-13-27(24,5)23(20)12-14-26(21,22)4;;/h17-25H,6-16H2,1-5H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-;;/m1../s1

InChIKey

LSZOEUUICRWOTO-JFEUVQKDSA-L

Smiles

O([C@H]1CC[C@@]2([C@@H]3[C@@H](C[C@@H]([C@@H]2C1)OS([O-])(=O)=O)[C@@H]1CC[C@@H]([C@@]1(C)CC3)[C@H](C)CCCC(C)C)C)S([O-])(=O)=O.[Na+].[Na+]