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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > falecalcitriol

Preferred term

falecalcitriol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H38F6O3

inchi

  • InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9+/t16-,20-,21-,22+,23+,24-/m1/s1

inchikey

  • XPYGGHVSFMUHLH-WSRTYSJNSA-N

mass

  • 524.580

monoisotopicmass

  • 524.27251

smiles

  • C/1(/C[C@H](C[C@@H](C1=C)O)O)=C/C=C/2/CCC[C@]3([C@]2(CC[C@@]3([C@](C)(CCCC(C(F)(F)F)(O)C(F)(F)F)[H])[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • Falecalcitriol

synonym RELATED

  • (+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
  • Falecalcitoriol
  • flocacitriol
  • flocalcitriol
  • flocalcitrol
  • Hornel (TN)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31590

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