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Chemistry, part 3

Content language

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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 > (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin d3 / (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol

Preferred term

(17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin d3 / (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O3

inchi

  • InChI=1S/C31H46O3/c1-6-31(34,7-2)19-10-8-9-12-22(3)27-16-17-28-24(13-11-18-30(27,28)5)14-15-25-20-26(32)21-29(33)23(25)4/h14-15,26,28-29,32-34H,4,6-8,10-11,13,16-21H2,1-3,5H3/b24-14+,25-15-,27-22+/t26-,28+,29+,30-/m1/s1

inchikey

  • ZHZPSISSWOOYJO-SQSVGMKISA-N

mass

  • 466.706

monoisotopicmass

  • 466.34470

smiles

  • O[C@@H]1C/C(=C/C=C/2/[C@H]3[C@](CCC2)(/C(/CC3)=C(/C)/C#CCCCC(O)(CC)CC)C)/C([C@@H](O)C1)=C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,5Z)-5-[(2E)-2-[(1E,3aS,7aS)-1-(8-ethyl-8-hydroxydec-3-yn-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230750

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