1Alpha-Hydroxy Vitamin D2-d3

Product Specifications

CAS Number

163081-47-8

Synonyms

(1α,3β,5Z,7E,22E)- 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol-d3;

Hazard Statement

Fatal if inhaled; UN number: UN2811; Packing Group: I

Smiles

[H][C@]1([C@H](C)/C=C/C(C([2H])([2H])[2H])C(C)C)CC[C@@]([C@]1(C)CCC/2)([H])C2=C\C=C(C[C@@H](O)C[C@@H]3O)/C3=C

Molecular Formula

C28H41D3O2

Molecular Weight

415.67

InChI

InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19?,20-,24-,25-,26+,27+,28-/m1/s1/i3D3

Additionnal Information

IUPAC name: (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-((2R,E)-6-methyl-5-(methyl-d3)hept-3-en-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol