Ergocalciferol
Ergocalciferol synonyms
calciferol; Sterogyl; Ergocalciferol; Deltalin; Diactol; Vitamin D2; Synthetic Vitamin D; Novovitamin-D; Vio-D; Radsterin; Haliver
Graphical representations:
View large 3D structure
Molecular Formula: C28H44O
Natural Isotopic Abundance Mass: 396.64836
Mono-Isotopic Molecular Masses:
- C12N14: 396.3392160345
- C13N14: 424.4331514929
- C12N15: 396.3392160345
- C13N15: 424.4331514929
InChI string: InChI=1S/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-,26+,27-,28+/m0/s1
PubChem Compound (CID): 5280793CAS Registry number: 8017-28-5 50-14-6 31316-19-5 7489-18-1
Sigma-Aldrich: E8014_SIGMA
ChemBank: BSPBio_000380
ChEBI: CHEBI:28934
HSDB: 819
ChemIDplus: 000050146
ChemSpider: 4444351
EINECS: 200-014-9
NIAID: 088693
EPA DSSTox: 20233
LipidMAPS: LMST03010001
ZINC: ZINC04629876
PDSP: Prestwick_554
DrugBank: DB00153
MMCD: cq_03038
MDL: MFCD00166988
PDB Compound ID: D2V
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)