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Substance Name: 1-Hydroxy-25-fluorovitamin D3
RN: 64164-40-5
InChIKey: WVUJXBIZSSBSQK-NKMMMXOESA-N

Molecular Weight

  • 418.6327
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxy-25-fluorovitamin D3

Synonym

  • 1alpha-Hydroxy-25-fluorovitamin D3

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, 25-fluoro-, (1alpha,3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 64164-40-5

System Generated Number

  • 0064164405

Structure Descriptors

InChI

1S/C27H43FO2/c1-18(8-6-14-26(3,4)28)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

InChIKey

WVUJXBIZSSBSQK-NKMMMXOESA-N

Smiles

C[C@H](CCCC(C)(C)F)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C