Ergocalciferols

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 71
Total Number of Articles : 91
PubChem 5280793
Molecular Formula

C28H44O

SMILES

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

InChI

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

synonyms
  • ergocalciferol
  • VITAMIN D2
  • Calciferol
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Properties
Property Value
MW 396.6 g/mol
HBD 1
HBA 1
Rotatable Bond Count 5
Exact Mass 396.339216023 g/mol
Monoisotopic Mass 396.339216023 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 678
xlogp 7.4
Topological Polar Surface Area 20.2