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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol

Preferred term

(20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin d3 / (20s)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorcholecalciferol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O3

inchi

  • InChI=1S/C21H32O3/c1-13-16(11-17(23)12-20(13)24)7-6-15-5-4-10-21(3)18(14(2)22)8-9-19(15)21/h6-7,14,17-20,22-24H,1,4-5,8-12H2,2-3H3/b15-6+,16-7-/t14-,17+,18+,19-,20-,21+/m0/s1

inchikey

  • CXIVGZGQIJYTJJ-ASKVEJKVSA-N

mass

  • 332.484

monoisotopicmass

  • 332.23514

smiles

  • O[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3/C[C@@H](O)C[C@H](O)C3=C)[H])C)[H])C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-hydroxyethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168232

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