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Concept information

Preferred term

tacalcitol  

Type

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

charge

  • 0

formula

  • C27H44O3

has_functional_parent

inchi

  • InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1

inchikey

  • BJYLYJCXYAMOFT-RSFVBTMBSA-N

mass

  • 416.646

monoisotopicmass

  • 416.32905

smiles

  • [H][C@@]1(CC[C@@]2([H])/C(CCC[C@]12C)=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)C

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32176

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