6alpha-Hydroxyestradiol

Base Information Edit

Chemical Name:6alpha-Hydroxyestradiol
CAS No.:1229-24-9
Molecular Formula:C18H24O3
Molecular Weight:288.38
Hs Code.:
European Community (EC) Number:634-140-4
UNII:IL75Q4KU3Q
DSSTox Substance ID:DTXSID5022516
Nikkaji Number:J131.381I
Wikidata:Q27132231
Metabolomics Workbench ID:62454
ChEMBL ID:CHEMBL1432305
Mol file:1229-24-9.mol

Synonyms:6ALPHA-HYDROXYESTRADIOL;1229-24-9;MLS000028696;CHEBI:62847;6alpha-hydroxy-estradiol;(6S,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol;UNII-IL75Q4KU3Q;IL75Q4KU3Q;SMR000058697;6alpha-hydroxy-17beta-estradiol;Estra-1,3,5(10)-triene-3,6,17-triol, (6.alpha.,17.beta.)-;estra-1,3,5(10)-triene-3,6alpha,17beta-triol;6|A-Hydroxy 17|A-Estradiol;Estra-1,3,5(10)-triene-3,6,17-triol, (6alpha,17beta)-;(1S,3aS,3bR,5S,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,5,7-triol;6alpha-Hydroxy 17beta-Estradiol;Opera_ID_1884;6 alpha -Hydroxyestradiol;Epitope ID:159260;E 2540;BIDD:ER0027;SCHEMBL1271527;CHEMBL1432305;DTXSID5022516;BDBM40544;cid_5284655;6.ALPHA.-HYDROXYESTRADIOL;QZZRQURPSRWTLG-WOVZSMEKSA-N;HMS2234P04;6alpha-Hydroxyestradiol, analytical standard;6.ALPHA.-HYDROXY-17.BETA.-ESTRADIOL;E-2540;Estra-1,3,5(10)-triene-3,6,17-triol #;1,3,5(10)-Estratriene-3,6alpha,17beta-triol;J-004873;Q27132231;1,3,5-ESTRATRIENE-3,6.ALPHA.,17.BETA.-TRIOL;(6alpha,17beta)-estra-1,3,5(10)-triene-3,6,17-triol;ESTRA-1,3,5(10)-TRIENE-3,6.ALPHA.,17.BETA.-TRIOL;(6S,8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol

Suppliers and Price of 6alpha-Hydroxyestradiol

Supply Marketing:Edit

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
6α-Hydroxy17β-Estradiol
2.5mg
$ 160.00

American Custom Chemicals Corporation
6-ALPHA-HYDROXYESTRADIOL 98.00%
50MG
$ 2825.00

American Custom Chemicals Corporation
6-ALPHA-HYDROXYESTRADIOL 98.00%
25MG
$ 1612.50

American Custom Chemicals Corporation
6-ALPHA-HYDROXYESTRADIOL 98.00%
5MG
$ 642.50

Total 15 raw suppliers

Chemical Property of 6alpha-Hydroxyestradiol Edit

Chemical Property:

Vapor Pressure:1.69E-10mmHg at 25°C
Refractive Index:1.624
Boiling Point:492 °C at 760 mmHg
Flash Point:233.2 °C
PSA：60.69000
Density:1.255 g/cm³
LogP:3.10010
Storage Temp.:2-8°C
Solubility.:DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:288.17254462
Heavy Atom Count:21
Complexity:411

Purity/Quality:

99% ^*data from raw suppliers

6α-Hydroxy17β-Estradiol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38-40
Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)CC(C4=C3C=CC(=C4)O)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=C3C=CC(=C4)O)O
Uses A metabolite of Estradiol (E888000).

Technology Process of 6alpha-Hydroxyestradiol

There total 6 articles about 6alpha-Hydroxyestradiol 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: 21.6%

: 50-28-2
estradiol

: 570-30-9
1,3,5-estratriene-3,15α,17β-triol

: 2208-13-1
3,15α-dihydroxy-1,3,5(10)-estratrien-17-one

: 1,3,5-estratriene-3,6α,15α-triol-17-one

: 1229-24-9
6α-hydroxyestradiol

Guidance literature:: With potassium dihydrogenphosphate; D-glucose; water; In acetone; at 30 ℃; for 120h; pH=4.5; Microbiological reaction;
DOI:10.1080/10242422.2016.1247816