3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid

Base Information Edit

Chemical Name:3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid
CAS No.:5226-26-6
Molecular Formula:C₂₇H₄₄O₅
Molecular Weight:448.643
Hs Code.:
Nikkaji Number:J670.950H,J811.612A
Wikidata:Q76295107
Metabolomics Workbench ID:36745
Mol file:5226-26-6.mol

Synonyms:24-OH-THCA;3 alpha,7 alpha,12 alpha-trihydroxycholest-24-enoic acid;3,7,12-trihydroxy-5beta-cholest-24-en-26-oic acid;3,7,12-trihydroxycholest-24-enoic acid

Suppliers and Price of 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid Edit

Chemical Property:

Vapor Pressure:8.82E-18mmHg at 25°C
Melting Point:200 °C
Boiling Point:616.6°C at 760 mmHg
PKA:5.01±0.19(Predicted)
Flash Point:340.7°C
PSA：97.99000
Density:1.156g/cm³
LogP:4.39500
XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:448.31887450
Heavy Atom Count:32
Complexity:748

Purity/Quality:: 99%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC=C(C)C(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Isomeric SMILES:C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Technology Process of 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-oic acid

There total 5 articles about 3alpha,7alpha,12alpha-Trihydroxy-5beta-24E-cholesten-26-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:

Reference yield:

: 84965-66-2
3α,7α,12α-triformyloxy-5β-cholan-24-al

: 5226-26-6
3α,7α,12α-Trihydroxy-5β-cholesten-24-26-saeure

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / benzene / 6 h / Heating

2: 5percent methanolic KOH / 2 h / Heating

With potassium hydroxide; In benzene;
DOI:10.1016/0039-128X(91)90115-C

Reference yield:

: 2097-89-4
cholic acid triformate

: 5226-26-6
3α,7α,12α-Trihydroxy-5β-cholesten-24-26-saeure

Guidance literature:: Multi-step reaction with 4 steps

1: tetrahydrofuran / 0.75 h / Heating

2: lithium tri-tert-butoxyaluminohydride (LTBAH) / tetrahydrofuran / 0.5 h

3: 93 percent / benzene / 6 h / Heating

4: 5percent methanolic KOH / 2 h / Heating

With potassium hydroxide; lithium tri(t-butoxy)aluminum hydride; In tetrahydrofuran; benzene;
DOI:10.1016/0039-128X(91)90115-C

Reference yield:

: 127656-72-8
Formic acid (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-17-((R)-4-imidazol-1-yl-1-methyl-4-oxo-butyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

: 5226-26-6
3α,7α,12α-Trihydroxy-5β-cholesten-24-26-saeure

Guidance literature:: Multi-step reaction with 3 steps

1: lithium tri-tert-butoxyaluminohydride (LTBAH) / tetrahydrofuran / 0.5 h

2: 93 percent / benzene / 6 h / Heating

3: 5percent methanolic KOH / 2 h / Heating

With potassium hydroxide; lithium tri(t-butoxy)aluminum hydride; In tetrahydrofuran; benzene;
DOI:10.1016/0039-128X(91)90115-C