ergocalciferol

Ergocalciferols Vitamin D2 analogs or derivatives. The compounds are used chiefly as oral antirachitic vitamins.

[1. Activated ergosterol, the vitamin D of plant origin; it arises from ultraviolet irradiation of ergosterol, which is cleaved at the 9,10 bond and develops a double bond between C-10 and C-19; used in prophylaxis and treatment of vitamin D deficiency.

Molecular Formula: C₂₈H₄₄O

InChI: InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26u,27-,28+/m0/s1

InChIKey: InChIKey=MECHNRXZTMCUDQ-DNKDUUMUBU
SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

Names:
    ergocalciferol
    (1S,3Z)-3-[(2E)-2-[(3aR,7aR)-1-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol

Registries:
    PubChem CID 5702050
    PubChem ID 8149328