Cholecalciferol
Cholecalciferol synonyms
VITAMIN D; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3beta-ol; 9,10-Secocholesta-5(Z),7(E),10(19)-trien-3(.beta.)-ol; (+)-vitamin D3; (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol; Vitamin D3; (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol; Cholecalciferol; vitamin D3; colecalciferol; calciol
Graphical representations:
View large 3D structure
Molecular Formula: C27H44O
Natural Isotopic Abundance Mass: 384.63766
Mono-Isotopic Molecular Masses:
- C12N14: 384.3392160345
- C13N14: 411.4297966551
- C12N15: 384.3392160345
- C13N15: 411.4297966551
InChI string: 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
PubChem Compound (CID): 5280795CAS Registry number: 1406-16-2 67-97-0
Sigma-Aldrich: C9774_SIAL
ChEBI: CHEBI:28940
ChemBank: SMP1_000068
ChemIDplus: 001406162
ChemSpider: 4444353
EINECS: 215-797-2
CCRIS: 5813
NIAID: 008382
EPA DSSTox: 34101
LipidMAPS: LMST03020001
PDSP: Prestwick_63
MMCD: cq_03040
MDL: MFCD00078131
PDB Compound ID: VD3
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)