Calcitriol D6

Base Information

• Chemical Name: Calcitriol D6
• CAS No.: 78782-99-7
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 422.597
• Hs Code.: 9999999999
• DSSTox Substance ID: DTXSID90515335
• Mol file: 78782-99-7.mol

Synonyms:Calcitriol D6;Calcitriol-d6;78782-99-7;(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;Calcitriol-26,26,26,27,27,27-d6;DTXSID90515335;MFCD15071365;AKOS025401844;CS-0809;AC-26352;HY-76814;MS-27425;(1S,3R,5Z,7E)-(26,26,26,27,27,27-~2~H_6_)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol

Chemical Property of Calcitriol D6

Chemical Property:

• Melting Point: 77-79°C
• Flash Point: 14℃
• PSA: 60.69000
• LogP: 5.70470
• Storage Temp.: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 422.36670574
• Heavy Atom Count: 30
• Complexity: 688

Purity/Quality:

98% ^*data from raw suppliers

Calcitriol-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
• 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](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O
• Description: Calcitriol-d6 is intended for us as an internal standard for the quantification of calcitriol by GC- or LC-MS. Calcitriol is synthesized from 7-dehydro cholesterol in humans via a non-enzymatic photochemical reaction with 290-310 nm UV light in the skin. Hydroxylation of the resulting cholecalciferol in the liver produces 25-hydroxy vitamin D3, the principal circulating form of vitamin D. A second, tightly regulated hydroxylation in the kidney produces calcitriol. Plasma calcitriol levels range from 10-70 pg/ml and are influenced by numerous dietary and hormonal factors. The main physiologic effects of calcitriol are to increase the absorption of calcium at the level of the intestinal epithelium, and to increase the mineralization of bone via the direct stimulation of osteoblasts.
• Uses: 1α,25-Dihydroxyvitamin D3-26,26,26,27,27,27-d6?can be used as an analytical standard for the quantitative analysis of dihydroxyvitamin D3?concentration in human serum via LC-MS.

Technology Process of Calcitriol D6

There total 1 articles about Calcitriol D6 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 15.0%

<26,27-2H6>-25-hydroxyvitamin D3 (78782-98-6) → C27H38(2)H6O3 (78782-99-7)

Guidance literature:

With renal 1α-hydroxylase; at 37 ℃; for 1h; incubation buffer;

DOI:10.1016/0039-128X(90)90010-9

upstream raw materials:

<26,27-2H6>-25-hydroxyvitamin D3