3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al

Base Information

Chemical Name:3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al
CAS No.:3836-01-9
Molecular Formula:C₂₇H₄₆O₄
Molecular Weight:434.66
Hs Code.:
DSSTox Substance ID:DTXSID30959294
Nikkaji Number:J2.732.427D
Wikidata:Q27101923
Metabolomics Workbench ID:36828
Mol file:3836-01-9.mol

Synonyms:3 alpha,7-alpha,12 alpha-trihydroxy-5 beta-cholestan-26-al;3,7,12-trihydroxycholestan-26-al

Suppliers and Price of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al

Chemical Property:

Vapor Pressure:2.71E-15mmHg at 25°C
Boiling Point:568.6°Cat760mmHg
Flash Point:311.7°C
PSA：77.76000
Density:1.093g/cm³
LogP:4.58920
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:434.33960994
Heavy Atom Count:31
Complexity:651

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C)C=O
Isomeric SMILES:C[C@H](CCCC(C)C=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-cholestan-26-al

There total 2 articles about 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al 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: 45.0%

: 27857-14-3
(25R)-3α,7α,12α,26-tetrahydroxy-5β-cholestane

: 78094-13-0
7α,12α-dihydroxy-3-oxo-5β-cholestan-26-al

: 78148-66-0,3836-01-9
3α,7α,12α-trihydroxy-5β-cholestan-26-al

: 78094-12-9
7α,12α,26-trihydroxy-5β-cholestan-3-one

Guidance literature:: With Celite; silver carbonate; In benzene; Heating;
DOI:10.1016/S0039-128X(81)80018-9

Reference yield:

: 23740-14-9
(25R)-3α,7α,12α-trihydroxy-5β-cholestane-26-oic acid

: 78148-66-0,3836-01-9
3α,7α,12α-trihydroxy-5β-cholestan-26-al

Guidance literature:: Multi-step reaction with 2 steps

1: 15 mg / 1.0 M B₂H₆ / tetrahydrofuran / 1) 0 deg C, 30 min, 2) 25 deg C, 45 min

2: 45 percent / Ag₂CO₃, Celite / benzene / Heating

With Celite; silver carbonate; diborane; In tetrahydrofuran; benzene;
DOI:10.1016/S0039-128X(81)80018-9