9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol

Base Information

Chemical Name:9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol
CAS No.:36149-00-5
Molecular Formula:C₂₇H₄₄O₂
Molecular Weight:400.645
Hs Code.:
European Community (EC) Number:252-891-2,242-990-9
UNII:SN331791VY
Wikipedia:Calcifediol
Wikidata:Q27289296
ChEMBL ID:CHEMBL3250186
Mol file:36149-00-5.mol

Synonyms:SN331791VY;5,6-trans-25-Hydroxy vitamin D3;25-Hydroxycholecalciferol, 5-trans-;25-Hydroxy-5,6-trans-cholecalciferol;UNII-SN331791VY;1233749-00-2;(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol;Dedrogyl;36149-00-5;9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3beta,5E,7E)-;Diaverene;Calcifediol hydrate;Calderol (TN);Cholecalciferol 25-hydroxy-;DTXSID0022721;5 6-cis-25-Hydroxyvitamin D3;C27H44O2.H2O;C27-H44-O2.H2-O;NCGC00161326-04;(S,E)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol;19356-17-3;U 32070E;(3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol;(5E,7E)-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol;DTXCID602721;SCHEMBL7901515;CHEMBL3250186;SCHEMBL15263247;5-trans-25-hydroxycholecalciferol;9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3.beta.,5Z,7E)-;1h-indeno-1-pentanol, 4-[(2z)-2-[(5s)-5-hidroxi-2-metilenciclohexilideno]etilideno]octahidro-?,?,?,7a-tetrametil-, (?r,1r,3as,4e,7ar)-;CS-M3650;Tox21_111987;NCGC00161326-08;NCGC00179206-01;CAS-19356-17-3;Q27289296;(3S,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol;9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-3,25-DIOL, (3.BETA.,5E,7E)-

Suppliers and Price of 9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol

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

TRC
25-Hydroxy-5,6-trans-cholecalciferol
50mg
$ 9655.00

Total 4 raw suppliers

Chemical Property of 9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol

Chemical Property:

Boiling Point:529.2°Cat760mmHg
PKA:14.82±0.20(Predicted)
Flash Point:221.4°C
PSA：40.46000
Density:1.01g/cm³
LogP:6.73390
XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:400.334130642
Heavy Atom Count:29
Complexity:655

Purity/Quality:

99% ^*data from raw suppliers

25-Hydroxy-5,6-trans-cholecalciferol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomeric SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C
Recent ClinicalTrials:Calcifediol in the Treatment of COVID 19
Recent EU Clinical Trials:Prevention and treatment with Calcifediol of Coronavirus COVID-19-induced acute respiratory syndrome (SARS)
Uses 25-Hydroxy-5,6-trans-cholecalciferol is an impurity of Calcifediol (C125700) which is a metabolite of Vitamin D.

Technology Process of 9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol

There total 5 articles about 9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol 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: