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Concept information

organooxygen compound > ether > (24r)-1alpha,24-dihydroxy-22-oxavitamin d3

Preferred term

(24r)-1alpha,24-dihydroxy-22-oxavitamin d3  

Type

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

charge

  • 0

formula

  • C26H42O4

has_functional_parent

has_role

inchi

  • InChI=1S/C26H42O4/c1-16(2)25(29)15-30-18(4)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)17(20)3/h8-9,16,18,21-25,27-29H,3,6-7,10-15H2,1-2,4-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25-,26+/m0/s1

inchikey

  • QBLPQGCPHVNTFS-KJWIQCNYSA-N

mass

  • 418.60930

monoisotopicmass

  • 418.30831

smiles

  • [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC/C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OC[C@H](O)C(C)C

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,5Z,7E,9xi,20S)-20-{[(2R)-2-hydroxy-3-methylbutyl]oxy}-9,10-secopregna-5,7,10-triene-1,3-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73923

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