Allopregnane-3beta,20alpha-diol

Base Information Edit

Chemical Name:Allopregnane-3beta,20alpha-diol
CAS No.:566-56-3
Molecular Formula:C21H36 O2
Molecular Weight:320.516
Hs Code.:
European Community (EC) Number:209-296-8
UNII:26UE8C57W8
DSSTox Substance ID:DTXSID101020840
Nikkaji Number:J6.517J
Wikidata:Q27254132
Metabolomics Workbench ID:198482
ChEMBL ID:CHEMBL44041
Mol file:566-56-3.mol

Synonyms:566-56-3;Allopregnane-3beta,20alpha-diol;Pregnanediol IV;5alpha-Pregnane-3beta,20(S)-diol;UNII-26UE8C57W8;Allopregnane-3beta-20alpha-diol;26UE8C57W8;EINECS 209-296-8;(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;5-alpha-Pregnane-3-beta,20-alpha-diol;5-ALPHA-PREGNAN-3-BETA,20-ALPHA-DIOL;5alpha-Pregnane-3beta,20beta-diol;CHEMBL44041;SCHEMBL643271;DTXSID101020840;Allopregnane-3-beta,20-alpha-diol;5alpha-pregnane-3-beta,20alpha-diol;AKOS027381321;UC-1019;(3-beta,5-alpha,20S)-Pregnane-3,20-diol;ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL;ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL [MI];Q27254132;PREGNANE-3,20-DIOL, (3.BETA.,5.ALPHA.,20S)-

Suppliers and Price of Allopregnane-3beta,20alpha-diol

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

Medical Isotopes, Inc.
5α-Pregnane-3β,20(S)-diol
250 mg
$ 2400.00

American Custom Chemicals Corporation
5ALPHA-PREGNAN-3BETA,20ALPHA-DIOL 95.00%
5MG
$ 451.23

Total 8 raw suppliers

Chemical Property of Allopregnane-3beta,20alpha-diol Edit

Chemical Property:

Vapor Pressure:1.98E-09mmHg at 25°C
Melting Point:218-219°
Boiling Point:435.9 °C at 760 mmHg
Flash Point:191 °C
PSA：40.46000
Density:1.053 g/cm3
LogP:4.38700
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:320.271530387
Heavy Atom Count:23
Complexity:463

Purity/Quality:

99% ^*data from raw suppliers

5α-Pregnane-3β,20(S)-diol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O
Isomeric SMILES:C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O

Technology Process of Allopregnane-3beta,20alpha-diol

There total 63 articles about Allopregnane-3beta,20alpha-diol 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%