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Substance Name: 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3
RN: 115540-42-6
InChIKey: BYSQJLGAMANIHA-DISCJWLBSA-N

Molecular Formula

  • C28-H44-F2-O3

Molecular Weight

  • 466.649
 
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Names and Synonyms

Name of Substance

  • 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3

Synonyms

  • 24,24-DFHDC
  • 24,24-Difluoro-24-homo-1alpha,25-dihydroxycholecalciferol
  • 24a-Homo-24,24-difluoro-1alpha,25-dihydroxyvitamin D3
  • 24aF2-Homo-1,25(OH)2D3

Systematic Name

  • 1,3-Cyclohexanediol, 5-((1-(5,5-difluoro-6-hydroxy-1,6-dimethylheptyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R-(1alpha(R*),3abeta,4E(1R*,3S*,5Z),7aalpha))-

Registry Numbers

CAS Registry Number

  • 115540-42-6

System Generated Number

  • 0115540426

Structure Descriptors

InChI

1S/C28H44F2O3/c1-18(8-6-15-28(29,30)26(3,4)33)23-12-13-24-20(9-7-14-27(23,24)5)10-11-21-16-22(31)17-25(32)19(21)2/h10-11,18,22-25,31-33H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18?,22-,23?,24+,25+,27-/m1/s1

InChIKey

BYSQJLGAMANIHA-DISCJWLBSA-N

Smiles

C1[C@@H](CC(\C([C@H]1O)=C)=C\C=C1\[C@@H]2CC[C@@H]([C@@]2(CCC1)C)[C@@H](CCCC(C(C)(C)O)(F)F)C)O