(22E)-ergosta-5,7,22-trien-3beta-ol; 3beta-Hydroxy-5,7,22-ergostatriene; ergosta-5,7,22E-trien-3beta-ol; 5,7,22-Ergostatrien-3beta-ol; Provitamin D2; (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol
Molecular Formula: C28H44O
Natural Isotopic Abundance Mass: 396.64836
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
PubChem Compound (CID): 444679Reference 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)