(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Base Information

Chemical Name:(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CAS No.:100513-95-9
Molecular Formula:C25H30 O2 S
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID40905565
Nikkaji Number:J718.579K
Pharos Ligand ID:2293NL3KG7TZ
ChEMBL ID:CHEMBL3754241
Mol file:100513-95-9.mol

Synonyms:4-(phenylthio)-4-androstene-3,17,dione;4-PTAD

Suppliers and Price of (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Supply Marketing:

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

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Chemical Property:

Vapor Pressure:2.52E-12mmHg at 25°C
Boiling Point:554.2°Cat760mmHg
Flash Point:228.9°C
PSA：59.44000
Density:1.2g/cm³
LogP:6.20740
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:394.19665137
Heavy Atom Count:28
Complexity:718

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4=O)C)SC5=CC=CC=C5
Isomeric SMILES:C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)SC5=CC=CC=C5

Technology Process of (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

There total 2 articles about (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-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: 83.0%