16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

Base Information

Chemical Name:16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
CAS No.:77017-20-0
Molecular Formula:C23H28 O6
Molecular Weight:400.472
Hs Code.:
European Community (EC) Number:278-593-2
UNII:FWD7KH5JFZ
DSSTox Substance ID:DTXSID90998301
Nikkaji Number:J309.341G
Wikidata:Q76422149
Mol file:77017-20-0.mol

Synonyms:77017-20-0;16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate;EINECS 278-593-2;EC 278-593-2;(16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione;(16alpha)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione;[2-[(8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;FWD7KH5JFZ;SCHEMBL10625127;DTXSID90998301;(16alpha)-16,17-dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate;NS00089925;16alpha-Hydroxy Prednisolone-9(11)-ene Acetate;16,17-Dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate;(16 alpha )-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione;(16alpha)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione;21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione, (16alpha)-;Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-16,17-dihydroxy-, (16alpha)-;2-((8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Suppliers and Price of 16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

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

Medical Isotopes, Inc.
(16α)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione
10 mg
$ 640.00

American Custom Chemicals Corporation
16,17,21-TRIHYDROXYPREGNA-1,4,9(11),TRIENE-3,20-DIONE-21-ACETATE 95.00%
100MG
$ 1871.10

American Custom Chemicals Corporation
16,17,21-TRIHYDROXYPREGNA-1,4,9(11),TRIENE-3,20-DIONE-21-ACETATE 95.00%
10MG
$ 739.20

Total 14 raw suppliers

Chemical Property of 16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:213-215 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))
Boiling Point:576.748°C at 760 mmHg
PKA:11.92±0.70(Predicted)
Flash Point:198.046°C
PSA：100.90000
Density:1.312g/cm³
LogP:2.04850
Water Solubility.:38.72mg/L at 25℃
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:400.18858861
Heavy Atom Count:29
Complexity:882

Purity/Quality:

99.9% ^*data from raw suppliers

(16α)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)C1(C(CC2C1(CC=C3C2CCC4=CC(=O)C=CC43C)C)O)O
Isomeric SMILES:CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)O)O

Technology Process of 16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

There total 3 articles about 16alpha,17,21-Trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate 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: 100.0%

: 37413-91-5
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

: 77017-20-0
16α,17α,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione-21-acetate

Guidance literature:: 2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate; With formic acid; In acetone; at 0 ℃; for 0.25h;

With potassium permanganate; In acetone; at -5 - 5 ℃; for 1.5h; Temperature;