5,6-trans-Vitamin D3, ~90%

Product Specifications

CAS Number

22350-41-0

Synonyms

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol; 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3β,5E,7E)- (9CI); 9,10-Secocholesta-5,7,10(19)-trien-3β-ol, (E,E)- (8CI); 5,6-trans-Cholecalciferol; 5,6-trans-Vitamin D3; trans-Vitamin D3; Cholecalciferol impurity A; Trans-cholecalciferol

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: II

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C\3/C[C@@H](O)CCC3=C)\CCC[C@]12C

Molecular Formula

C27 H44 O

Molecular Weight

384.64

InChI

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

Additionnal Information

IUPAC name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol