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Substance Name: 22-Fluorovitamin D3
RN: 110536-31-7
InChIKey: BULPIFATHWIAFY-YAPHLITASA-N

Molecular Weight

  • 402.6337
 
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Names and Synonyms

Name of Substance

  • 22-Fluorovitamin D3

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-trien-3-ol, 22-fluoro-, (3beta,5Z,7E)-

Registry Numbers

CAS Registry Number

  • 110536-31-7

System Generated Number

  • 0110536317

Structure Descriptors

InChI

1S/C27H43FO/c1-18(2)8-15-26(28)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(29)12-9-19(22)3/h10-11,18,20,23-26,29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26?,27+/m0/s1

InChIKey

BULPIFATHWIAFY-YAPHLITASA-N

Smiles

C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)C(CCC(C)C)F