5beta-Estrane-3alpha,17beta-diol

Base Information

Chemical Name:5beta-Estrane-3alpha,17beta-diol
CAS No.:10002-97-8
Molecular Formula:C18H30 O2
Molecular Weight:278.435
Hs Code.:
NSC Number:81400
UNII:X4SO0472HB
DSSTox Substance ID:DTXSID50142868
Nikkaji Number:J2.606.281K
Wikidata:Q27148848

Synonyms:10002-97-8;5beta-Estrane-3alpha,17beta-diol;UNII-X4SO0472HB;X4SO0472HB;Estrane-3,17-diol, (3alpha,5beta,17beta)-;NSC 81400;NSC-81400;(3R,5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol;SCHEMBL6451833;CHEBI:79716;DTXSID50142868;NSC81400;(3alpha,5beta,17beta)-estrane-3,17-diol;19-Nor-5beta-androstane-3alpha,17beta-diol;5.BETA.-ESTRAN-3.ALPHA.,17.BETA.-DIOL;5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL;Q27148848;19-NOR-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL;ESTRANE-3,17-DIOL, (3.ALPHA.,5.BETA.,17.BETA.)-

Suppliers and Price of 5beta-Estrane-3alpha,17beta-diol

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 5 raw suppliers

Chemical Property of 5beta-Estrane-3alpha,17beta-diol

Chemical Property:

Vapor Pressure:1.97E-08mmHg at 25°C
Boiling Point:410°C at 760 mmHg
Flash Point:186.6°C
Density:1.098g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:278.224580195
Heavy Atom Count:20
Complexity:382

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C4CCC(CC4CCC3C1CCC2O)O
Isomeric SMILES:C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2O)O
General Description (3α,5β,17β)-Estrane-3,17-diol, also known by its alternative names such as 5β-estrane-3α,17β-diol and NSC 81400, is a reduced metabolite of estrane with a 5β-configuration. This steroid derivative features hydroxyl groups at the 3α and 17β positions, which may influence its biological activity, particularly in metabolic or hormonal pathways. Its structural similarity to other estrane derivatives suggests potential interactions with steroid receptors or enzymes involved in steroid metabolism, though specific functional roles would require further investigation. (3alpha,5beta,17beta)-estrane-3,17-diol's nomenclature reflects its stereochemistry and relationship to androstane and estrane frameworks.

Technology Process of 5beta-Estrane-3alpha,17beta-diol

There total 23 articles about 5beta-Estrane-3alpha,17beta-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: 16.0%

: 434-22-0
19-nortestosterone

: 1434-85-1
17β-hydroxy-5α-estran-3-one

: 1816-75-7
5α‐estrane‐3β,17β‐diol

: 10002-97-8
5β‐estrane‐3α,17β‐diol

: 19468-31-6
17β-hydroxy-19-nor-5β-androstan-3-one

Guidance literature:: With potassium hydroxide; hydrogen; palladium on activated charcoal; In isopropyl alcohol; under 2068.6 - 2327.2 Torr; Yields of byproduct given; Ambient temperature;
DOI:10.1021/jm960304p