Allopregnan-3alpha-ol-20-one acetate

Base Information

Chemical Name:Allopregnan-3alpha-ol-20-one acetate
CAS No.:6003-24-3
Molecular Formula:C₂₃H₃₆O₃
Molecular Weight:360.537
Hs Code.:
UNII:0G0M7A1R8J
Nikkaji Number:J322.222E
Wikidata:Q27236727
Metabolomics Workbench ID:198459
ChEMBL ID:CHEMBL3137758

Synonyms:UNII-0G0M7A1R8J;Allopregnan-3alpha-ol-20-one acetate;0G0M7A1R8J;3alpha-Hydroxy-5alpha-pregnan-20-one acetate;Pregnan-20-one, 3-(acetyloxy)-, (3alpha,5alpha)-;6003-24-3;Pregnan-20-one, 3-(acetyloxy)-, (3.alpha.,5.alpha.)-;SCHEMBL2981376;CHEMBL3137758;GFHOQCXDABGYAL-MHFBBLOWSA-N;3alpha-acetoxy-5alpha-pregnan-20-one;(3alpha,5alpha)-3-(acetyloxy)pregnan-20-one;ALLOPREGNAN-3.ALPHA.-OL-20-ONE ACETATE;Q27236727;5.alpha.-Pregnan-20-one, 3.alpha.-hydroxy-, acetate;3.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-20-ONE ACETATE

Suppliers and Price of Allopregnan-3alpha-ol-20-one acetate

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
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price

Total 0 raw suppliers

Chemical Property of Allopregnan-3alpha-ol-20-one acetate

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:360.26644501
Heavy Atom Count:26
Complexity:598

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Allopregnan-3alpha-ol-20-one acetate

There total 15 articles about Allopregnan-3alpha-ol-20-one acetate 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%

: 128-20-1,128-21-2,516-54-1,516-55-2,4243-94-1,4320-08-5,4406-35-3,4406-37-5,4469-03-8,13089-85-5,13089-86-6,14615-01-1,21788-58-9,24557-99-1,25126-79-8,26961-00-2,36027-63-1,39845-99-3,40135-22-6,72691-57-7,81076-02-0,95118-68-6,110350-90-8
3β-hydroxy-(5ξ)-pregnan-20-one

: 108-24-7
acetic anhydride

: 906-83-2,1491-77-6,2394-44-7,6003-24-3,10002-82-1,23097-04-3,33999-95-0,34000-02-7,40129-07-5,65556-92-5,95720-67-5,95720-68-6,95720-69-7,96611-81-3,102679-41-4,106760-08-1
Pregnanolon-3β-acetat

Guidance literature:: With pyridine; In pyridine; at 20 ℃; for 2h;

Reference yield:

: 1092553-72-4
3β-acetoxy-21-nor-5β.14β.17βH-pregnanoic acid-(20)

: 906-83-2,1491-77-6,2394-44-7,6003-24-3,10002-82-1,23097-04-3,33999-95-0,34000-02-7,40129-07-5,65556-92-5,95720-67-5,95720-68-6,95720-69-7,96611-81-3,102679-41-4,106760-08-1
3β-acetoxy-5β.14β.17βH-pregnanone-(20)

Guidance literature:: With thionyl chloride; Durch Erwaermen einer Loesung des Saeurechlorids in Benzol mit Dimethylcadmium in Aether und Behandeln des Reaktionsprodukts mit Acetanhydrid und Pyridin;
DOI:10.1002/hlca.19470300712

Reference yield:

: 15173-94-1
3β-hydroxy-21-nor-5β.14β.17βH-pregnanoic acid-(20)

: 906-83-2,1491-77-6,2394-44-7,6003-24-3,10002-82-1,23097-04-3,33999-95-0,34000-02-7,40129-07-5,65556-92-5,95720-67-5,95720-68-6,95720-69-7,96611-81-3,102679-41-4,106760-08-1
3β-acetoxy-5β.14β.17βH-pregnanone-(20)

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine; water

2: SOCl₂ / Durch Erwaermen einer Loesung des Saeurechlorids in Benzol mit Dimethylcadmium in Aether und Behandeln des Reaktionsprodukts mit Acetanhydrid und Pyridin

With pyridine; thionyl chloride; water;
DOI:10.1002/hlca.19470300712