3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one

Base Information

Chemical Name:3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one
CAS No.:13900-61-3
Molecular Formula:C22H34 O3
Molecular Weight:346.51
Hs Code.:
European Community (EC) Number:237-673-7
DSSTox Substance ID:DTXSID00930277
Nikkaji Number:J280.367D
Wikidata:Q82905548
Mol file:13900-61-3.mol

Synonyms:13900-61-3;3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one;EINECS 237-673-7;1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone;17alpha-hydroxy-16beta-methylpregnenolone;SCHEMBL6339382;DTXSID00930277;3,17-Dihydroxy-16-methylpregn-5-en-20-one;3beta,17-Dihydroxy-16beta-methylpregn-5-en-20-one

Suppliers and Price of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one

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 6 raw suppliers

Chemical Property of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one

Chemical Property:

Vapor Pressure:2.14E-11mmHg at 25°C
Melting Point:224-230 °C
Boiling Point:483.9°Cat760mmHg
Flash Point:260.6°C
PSA：57.53000
Density:1.13g/cm³
LogP:3.87620
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:346.25079494
Heavy Atom Count:25
Complexity:625

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C3CC=C4CC(CCC4(C3CCC2(C1(C(=O)C)O)C)C)O
Isomeric SMILES:C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O

Technology Process of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one

There total 17 articles about 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one 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:

: 115605-76-0
(3S,8R,9S,10R,13S,14S,16S,17R)-10,13,16-Trimethyl-17-(2-methyl-[1,3]dioxolan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

: 13900-61-3
3β.17α-Dihydroxy-16α-methyl-pregnen-(5)-on-(20)

Guidance literature:: With hydrogen cation; In acetone; at 20 ℃; for 1h;
DOI:10.1248/cpb.49.525

Reference yield:

: 979-02-2
16-dehydropregnenolone acetate

: 13900-61-3
3β.17α-Dihydroxy-16α-methyl-pregnen-(5)-on-(20)

Guidance literature:: Multi-step reaction with 5 steps

1: aq. H₂O₂; NaOH / 12 h / 20 °C

2: pyridine / 12 h / 20 °C

3: trimethyl orthoformate; 4-methylbenzenesulfonic acid / 6 h / 60 °C

4: CuI / tetrahydrofuran / 72 h / Heating

5: H+ / acetone / 1 h / 20 °C

With pyridine; sodium hydroxide; copper(l) iodide; dihydrogen peroxide; hydrogen cation; toluene-4-sulfonic acid; trimethyl orthoformate; In tetrahydrofuran; acetone;
DOI:10.1248/cpb.49.525

Reference yield:

: 27255-57-8
16α,17α-epoxy-20-ethylenedioxypregn-5-ene-3β-yl acetate

: 13900-61-3
3β.17α-Dihydroxy-16α-methyl-pregnen-(5)-on-(20)

Guidance literature:: Multi-step reaction with 2 steps

1: CuI / tetrahydrofuran / 72 h / Heating

2: H+ / acetone / 1 h / 20 °C

With copper(l) iodide; hydrogen cation; In tetrahydrofuran; acetone;
DOI:10.1248/cpb.49.525