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Concept information

Preferred term

doxercalciferol  

Type

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

charge

  • 0

formula

  • C28H44O2

inchi

  • InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

inchikey

  • HKXBNHCUPKIYDM-CGMHZMFXSA-N

mass

  • 412.649

monoisotopicmass

  • 412.33413

smiles

  • C1[C@]2([C@](/C(=C/C=C/3/C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)/C=C/[C@@H](C(C)C)C)[H])[H])C

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4712

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