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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 > 26,27-diethyl-1alpha,25-dihydroxy-22-thiavitamin d3 / 26,27-diethyl-1alpha,25-dihydroxy-22-thiacholecalciferol

Preferred term

26,27-diethyl-1alpha,25-dihydroxy-22-thiavitamin d3 / 26,27-diethyl-1alpha,25-dihydroxy-22-thiacholecalciferol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O3S

inchi

  • InChI=1S/C30H50O3S/c1-6-14-30(33,15-7-2)17-18-34-22(4)26-12-13-27-23(9-8-16-29(26,27)5)10-11-24-19-25(31)20-28(32)21(24)3/h10-11,22,25-28,31-33H,3,6-9,12-20H2,1-2,4-5H3/b23-10+,24-11-/t22-,25+,26+,27-,28-,29+/m0/s1

inchikey

  • DHHHZPHUXCNBHF-ITTRCMFSSA-N

mass

  • 490.790

monoisotopicmass

  • 490.34807

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230762

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