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Substance Name: 26-Thiacholesterol
RN: 117768-78-2
InChIKey: SADAWOFTFFMPGA-YSQMORBQSA-N

Molecular Formula

  • C27-H46-O-S

Molecular Weight

  • 418.7254
 
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Names and Synonyms

Name of Substance

  • 26-Thiacholesterol

Systematic Name

  • Cholest-5-en-3-ol, 26-mercapto-, (3beta,25R)-

Registry Numbers

CAS Registry Number

  • 117768-78-2

System Generated Number

  • 0117768782

Structure Descriptors

InChI

1S/C27H46OS/c1-18(17-29)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(28)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

SADAWOFTFFMPGA-YSQMORBQSA-N

Smiles

C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CS