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Concept information

Preferred term

18-acetoxy-1alpha,25-dihydroxyvitamin d3  

Type

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

charge

  • 0

formula

  • C29H46O5

has_functional_parent

has_role

inchi

  • InChI=1S/C29H46O5/c1-19(8-6-14-28(4,5)33)25-12-13-26-22(9-7-15-29(25,26)18-34-21(3)30)10-11-23-16-24(31)17-27(32)20(23)2/h10-11,19,24-27,31-33H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t19-,24-,25-,26+,27+,29+/m1/s1

inchikey

  • WWUMIPQKNPFIAD-AMXJZHMKSA-N

mass

  • 474.67250

monoisotopicmass

  • 474.33452

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,5Z,7E)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-18-yl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73917

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