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1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid

Base Information
  • Chemical Name:1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid
  • CAS No.:71204-89-2
  • Molecular Formula:C23H34 O4
  • Molecular Weight:374.521
  • Hs Code.:
  • Metabolomics Workbench ID:38897
  • NCI Thesaurus Code:C107440
  • Wikipedia:Calcitroic_acid
  • Mol file:71204-89-2.mol
1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid

Synonyms:1 alpha,3 beta-dihydroxy-24-nor-9,10- seco-5,7,10(19)-cholatrien-23-oic acid;1 alpha-hydroxy-23-carboxytetranorvitamin D;calcitroic acid

Suppliers and Price of 1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid
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
  • CalcitroicAcid
  • 1mg
  • $ 4815.00
  • Medical Isotopes, Inc.
  • CalcitroicAcid
  • 0.1 mg
  • $ 950.00
Total 6 raw suppliers
Chemical Property of 1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid
Chemical Property:
  • Vapor Pressure:1.73E-15mmHg at 25°C 
  • Boiling Point:572.5°C at 760 mmHg 
  • PKA:4.71±0.10(Predicted) 
  • Flash Point:314.1°C 
  • PSA:77.76000 
  • Density:1.15g/cm3 
  • LogP:4.23820 
  • XLogP3:3.4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:4
  • Exact Mass:374.24570956
  • Heavy Atom Count:27
  • Complexity:661
Purity/Quality:

95% *data from raw suppliers

CalcitroicAcid *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(CC(=O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
  • Isomeric SMILES:C[C@H](CC(=O)O)[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
  • Uses Calcitroic Acid is a major metabolite of Calcitriol (C144500).
Technology Process of 1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid

There total 32 articles about 1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid 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:
Guidance literature:
Multi-step reaction with 10 steps
2: KOH / methanol; diethyl ether / 0.5 h / Ambient temperature
3: diethyl ether / 0.17 h / 0 °C / Irradiation
4: ethanol / 2.5 h / 80 °C
5: pyridine / 22 h / 4 °C
6: NaHCO3 / benzene / 18 h / 56 °C
7: 50 percent / SeO2, t-BuOOH / CH2Cl2 / 0.67 h / Ambient temperature
8: 0.25 h / 55 °C
9: KOH / methanol; diethyl ether / 1 h / 15 °C
10: KOH / methanol / 0.5 h / 60 °C
With tert.-butylhydroperoxide; potassium hydroxide; selenium(IV) oxide; sodium hydrogencarbonate; In pyridine; methanol; diethyl ether; ethanol; dichloromethane; benzene;
DOI:10.1021/jo00315a047
Guidance literature:
Multi-step reaction with 11 steps
3: KOH / methanol; diethyl ether / 0.5 h / Ambient temperature
4: diethyl ether / 0.17 h / 0 °C / Irradiation
5: ethanol / 2.5 h / 80 °C
6: pyridine / 22 h / 4 °C
7: NaHCO3 / benzene / 18 h / 56 °C
8: 50 percent / SeO2, t-BuOOH / CH2Cl2 / 0.67 h / Ambient temperature
9: 0.25 h / 55 °C
10: KOH / methanol; diethyl ether / 1 h / 15 °C
11: KOH / methanol / 0.5 h / 60 °C
With tert.-butylhydroperoxide; potassium hydroxide; selenium(IV) oxide; sodium hydrogencarbonate; In pyridine; methanol; diethyl ether; ethanol; dichloromethane; benzene;
DOI:10.1021/jo00315a047
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