(5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione

Base Information

Chemical Name:(5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione
CAS No.:5696-51-5
Molecular Formula:C₁₈H₂₆O₂
Molecular Weight:274.403
Hs Code.:
DSSTox Substance ID:DTXSID101024042
Mol file:5696-51-5.mol

Synonyms:5696-51-5;(5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione;(5R,8R,9R,10S,13S,14S)-13-Methyltetradecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione;(5R,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;5beta-estrane-3,17-dione;SCHEMBL5863648;DTXSID101024042;AKOS037647647;AS-74372;CS-0080054;(3aS,3bR,5aR,9aS,9bR,11aS)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-dione

Suppliers and Price of (5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione

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 (5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione

Chemical Property:

Melting Point:179-181 °C
Boiling Point:411.2±45.0 °C(Predicted)
Density:1.087±0.06 g/cm3(Predicted)
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:274.193280068
Heavy Atom Count:20
Complexity:454

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2=O)CCC4C3CCC(=O)C4
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CCC(=O)C4

Technology Process of (5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione

There total 20 articles about (5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione 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: 89.0%

: 734-32-7
estra-4-ene-3,17-dione

: 5696-51-5
5β-estrane-3,17-dione

Guidance literature:: With 5%-palladium/activated carbon; hydrogen bromide; hydrogen; In tetrahydrofuran; at 20 ℃; for 24h; under 3620.13 Torr;

Reference yield: 77.0%

: 734-32-7
19-nor-androst-4-ene-3,17-dione

: 5696-51-5
19-nor-5β-androstane-3,17-dione

Guidance literature:: With hydrogen bromide; hydrogen; palladium; In tetrahydrofuran; for 3h; Product distribution; Ambient temperature; atmospheric pressure // various nitrogen bases instead of HBr/THF;
DOI:10.1021/jo01301a043