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Concept information

Preferred term

1 هیدروکسی پروویتامین D3 دی استات  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O4

inchi

  • InChI=1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h12-14,20-21,27-30H,8-11,15-19H2,1-7H3/b14-13-/t21-,27-,28-,29+,30+,31-/m1/s1

inchikey

  • YLYNCPGDKZTDMI-OSGXNWEKSA-N

mass

  • 484.721

monoisotopicmass

  • 484.35526

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(1R,5S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:196999

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