Vitamin D3(67-97-0) 1H NMR
Product NameVitamin D3
CAS67-97-0
Molecular FormulaC27H44O
Molecular Weight384.64
InChIInChI=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
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
Smiles[C@H]1(O)CCC(=C)/C(=C\C=C2/CCC[C@@]3(C)[C@@]/2([H])CC[C@@H]3[C@H](C)CCCC(C)C)/C1
