1alpha-hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol

Base Information

Chemical Name:1alpha-hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol
CAS No.:58028-00-5
Molecular Formula:C₂₇H₄₄O₂
Molecular Weight:400.645
Hs Code.:
DSSTox Substance ID:DTXSID00860580
Metabolomics Workbench ID:35781

Synonyms:1alpha-Hydroxy-3-epi-vitamin D3;(5Z,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol;1alpha-hydroxy-3-epivitamin D3 / 1alpha-hydroxy-3-epicholecalciferol;(1S,3S,Z)-5-((E)-2-((1R,3AS,7aR)-7a-Methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol;58028-00-5;63181-13-5;1|A-Hydroxy-3-epi-vitamin D3;1alpha-Hydroxy-3-epivitamin D3;DTXSID00860580;HY-10003A;LMST03020232;(1S,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol;MS-26817;PD165138;CS-0166650;1alpha-Hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol

Suppliers and Price of 1alpha-hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1alpha-hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol

Chemical Property:

XLogP3:6.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:400.334130642
Heavy Atom Count:29
Complexity:643

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
Isomeric SMILES:C[C@H](CCCC(C)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

Technology Process of 1alpha-hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol

There total 11 articles about 1alpha-hydroxy-3-epivitamin D3/1alpha-hydroxy-3-epicholecalciferol 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: 87.0%

: 86307-24-6,86307-63-3,87649-60-3,87649-61-4,101565-49-5
(1S,5R)-5-(tert-Butyl-dimethyl-silanyloxy)-3-[2-[(1R,3aS)-1-((R)-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-2-methylene-cyclohexanol

: 41294-56-8,58028-00-5,63181-13-5,65445-14-9,65445-15-0,76135-93-8,89577-10-6,134523-94-7,142865-40-5
1α-hydroxycholecalciferol

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1021/jo00359a061

Reference yield:

: 1α-hydroxy-3,5-cyclovitamin D₃

: 41294-56-8
1α-hydroxyvitamin D3

: 41294-56-8,58028-00-5,63181-13-5,65445-15-0,76135-93-8,89577-10-6,134523-94-7,142865-40-5,65445-14-9
1α-hydroxy-5,6-trans-vitamin D₃

Guidance literature:: With acetic acid; In dimethyl sulfoxide; at 50 ℃; for 1h; Overall yield = 87 %; Overall yield = 2.2 g; Inert atmosphere;
DOI:10.1055/s-0033-1339867