| Catalog Number |
ACM118584546 |
| CAS |
118584-54-6 |
| Synonyms |
VD3-D6; Cholecalciferol D6 |
| IUPAC Name |
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| Molecular Weight |
390.67 |
| Molecular Formula |
C27H38D6O |
| 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/i1D3,2D3 |
| InChI Key |
QYSXJUFSXHHAJI-HCXPDEKJSA-N |
| Boiling Point |
78 °C (172 °F) |
| Melting Point |
-114 °C (-173 °F) |
| Flash Point |
14.0 °C (57.2 °F)-closed cup |
| Purity |
95% |
| Density |
0.789 g/mL at 25 °C (77 °F) |
| Appearance |
Colorless liquid |
| Isomeric SMILES |
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([2H])([2H])[2H] |
| Isotopic Enrichment |
98 atom % D |
| Unlabeled CAS |
67-97-0 |
