| Catalog Number |
ACM80666484 |
| CAS |
80666-48-4 |
| Synonyms |
Vitamin D3-[6,19,19]-d3; Vitamin D3-d3; Calciol-[D3] |
| IUPAC Name |
(1S,3Z)-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]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol |
| Molecular Weight |
387.66 |
| Molecular Formula |
C27H41D3O |
| 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/i3D2,13D |
| InChI Key |
QYSXJUFSXHHAJI-GLSUUORTSA-N |
| Boiling Point |
78.3 °C (172.9 °F) |
| Melting Point |
-114 °C (-173 °F) |
| Flash Point |
14.0 °C (57.2 °F)-closed cup |
| Purity |
97% |
| Appearance |
Colorless liquid |
| Isomeric SMILES |
[2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)O)[2H] |
| Isotopic Enrichment |
97 atom % D |
| Unlabeled CAS |
67-97-0 |
