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Concept information

Preferred term

18,25-dihydroxyvitamin d3 / 18,25-dihydroxycholecalciferol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O3

inchi

  • InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(18-28)24(13-14-25(21)27)20(2)7-5-15-26(3,4)30/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-/t20-,23+,24-,25+,27+/m1/s1

inchikey

  • COFOYMWNXADSQE-COWNQDMFSA-N

mass

  • 416.646

monoisotopicmass

  • 416.32905

smiles

  • OC[C@@]12[C@](CC[C@]1(/C(/CCC2)=C/C=C/3/C[C@@H](O)CCC3=C)[H])([C@@H](CCCC(O)(C)C)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aS)-7a-(hydroxymethyl)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183020

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