(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one

Base Information

Chemical Name:(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
CAS No.:50731-96-9
Molecular Formula:C19H24O3
Molecular Weight:300.398
Hs Code.:
DSSTox Substance ID:DTXSID10573891
Nikkaji Number:J670.317H
Wikidata:Q82462738
Mol file:50731-96-9.mol

Synonyms:50731-96-9;(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one;3-O-Methyl-6-oxo 17|A-Estradiol;3-O-Methyl-6-oxo 17beta-Estradiol;SCHEMBL3347112;DTXSID10573891;(17beta)-17-Hydroxy-3-methoxyestra-1,3,5(10)-trien-6-one

Suppliers and Price of (8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-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

TRC
3-O-Methyl-6-oxo17β-Estradiol
50mg
$ 1320.00

Medical Isotopes, Inc.
3-O-Methyl-6-oxo17β-Estradiol
50 mg
$ 2200.00

Total 3 raw suppliers

Chemical Property of (8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one

Chemical Property:

PSA：46.53000
LogP:3.55240
Solubility.:Dichloromethane
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:300.17254462
Heavy Atom Count:22
Complexity:462

Purity/Quality:

99% ^*data from raw suppliers

3-O-Methyl-6-oxo17β-Estradiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)CC(=O)C4=C3C=CC(=C4)OC
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C3C=CC(=C4)OC
Uses Estradiol derivative. Used in the preparation of contraceptive steroids. As a Estradiol derivative, 3-O-Methyl-6-oxo 17β-Estradiol can be used in the preparation of contraceptive steroids.

Technology Process of (8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one

There total 24 articles about (8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-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: 99.0%

: 571-92-6
6-ketoestradiol

: 74-88-4
methyl iodide

: 50731-96-9
(8R,9S ,13S ,14S ,17S )-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one

Guidance literature:: With potassium carbonate; In methanol; acetone; for 3h; Heating;
DOI:10.1016/0040-4020(95)00871-5

Reference yield: 87.0%

: 174497-42-8
(8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-17-(tetrahydro-pyran-2-yloxy)-7,8,9,11,12,13,14,15,16,17-decahydro-cyclopenta[a]phenanthren-6-one

: 50731-96-9
(8R,9S ,13S ,14S ,17S )-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one

Guidance literature:: With acetyl chloride; Heating;
DOI:10.1055/s-1995-4136

Reference yield: 80.0%

: 2-((1S ,3aS ,4R,5S ,7aS )-5-(4-methoxyphenyl)-7a-methyl-1-((triisopropylsilyl)oxy)octahydro-1H-inden-4-yl)acetic acid

: 50731-96-9
(8R,9S ,13S ,14S ,17S )-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one

Guidance literature:: 2-((1S ,3aS ,4R,5S ,7aS )-5-(4-methoxyphenyl)-7a-methyl-1-((triisopropylsilyl)oxy)octahydro-1H-inden-4-yl)acetic acid; With oxalyl dichloride; In dichloromethane; at 2.5 ℃; for 20h; Inert atmosphere;

With aluminum (III) chloride; In dichloromethane; for 0.5h; Inert atmosphere;
DOI:10.1002/ejoc.201800910