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Cholecalciferol

Cholecalciferol

API0231520

Cholecalciferol

Cholecalciferol is vitamin D3.

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  • CAS No.

    67-97-0

  • Synonyms

    Vitamin D3; cholecalciferol; 67-97-0

  • CHEMBL ID

    CHEMBL1042

  • Molecule Type

    Small molecule

  • Compound CID

    5280795

  • Molecular Weight (g/mol)

    384.6

  • Molecular Formula

    C27H44O

  • InChI

    InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

  • InChIKey

    QYSXJUFSXHHAJI-YRZJJWOYSA-N

  • SMILES

    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

  • IUPAC Name

    (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

  • Exact Mass (Da)

    384.339216023

  • Monoisotopic Mass (Da)

    384.339216023

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