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Concept information

Preferred term

25-hydroxyvitamin d3-26,23-lactone  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O4

inchi

  • InChI=1S/C27H40O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9+/t18-,21-,22-,23-,24+,26-,27-/m1/s1

inchikey

  • IJNDMZIDDKVXHR-MYEQSZOMSA-N

mass

  • 428.613

monoisotopicmass

  • 428.29266

smiles

  • O1[C@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C/4/C[C@H](O)CCC4=C)[H])C)[H])C)C[C@@](O)(C1=O)C

subset

  • 2_STAR

synonym EXACT

  • (3R,5R)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:171908

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