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Substance Name: 7-Dehydrocholesterol-3-sulfate ester
RN: 10529-44-9
InChIKey: NKPUIOFQRISSOL-DDPQNLDTSA-N

Note

  • Isolated from human skin; precursor of cholecalciferol sulfate.

Molecular Formula

  • C27-H44-O4-S

Molecular Weight

  • 464.7066
 
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Names and Synonyms

Name of Substance

  • 7-Dehydrocholesterol-3-sulfate ester

Synonym

  • 7-DH-3-SE

Systematic Name

  • Cholesta-5,7-dien-3-ol, hydrogen sulfate, (3beta)-

Registry Numbers

CAS Registry Number

  • 10529-44-9

System Generated Number

  • 0010529449

Structure Descriptors

InChI

1S/C27H44O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25H,6-8,11-17H2,1-5H3,(H,28,29,30)/t19-,21+,23-,24+,25+,26+,27-/m1/s1

InChIKey

NKPUIOFQRISSOL-DDPQNLDTSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C