5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate

Base Information Edit

Chemical Name:5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate
CAS No.:4472-02-0
Molecular Formula:C27H40O5
Molecular Weight:444.612
Hs Code.:
NSC Number:45878
Nikkaji Number:J188.274K
Mol file:4472-02-0.mol

Synonyms:4472-02-0;methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate;NSC45878;SCHEMBL330065;NSC-45878;5.beta.-Chol-9(11)-en-24-oic acid, 3.alpha.-hydroxy-12-oxo-, methyl ester, acetate;Chol-9(11)-en-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.)-;CS-0080122;Methyl 3-(acetyloxy)-12-oxochol-9(11)-en-24-oate #;5.beta.-Chol-9(11)-en-24-oic acid, methyl ester, acetate;Methyl 3alpha-acetoxy-5beta-chol-9(11)-en-12-one-24-oate;Chol-9(11)-en-24-oic acid, methyl ester, (3.alpha.,5.beta.)-;(R)-Methyl 4-((3R,5R,8S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Suppliers and Price of 5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate

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

American Custom Chemicals Corporation
4-(3-ACO-DI-ME-OXO-14H-CYCLOPENTA(A)PHENANTHREN-17-YL)-PENTANOIC ACID ME ESTER 95.00%
5MG
$ 495.41

Total 17 raw suppliers

Chemical Property of 5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate Edit

Chemical Property:

Vapor Pressure:2.34E-11mmHg at 25°C
Boiling Point:531°Cat760mmHg
Flash Point:224.6°C
PSA：69.67000
Density:1.12g/cm³
LogP:5.26540
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:444.28757437
Heavy Atom Count:32
Complexity:815

Purity/Quality:

99%, ^*data from raw suppliers

4-(3-ACO-DI-ME-OXO-14H-CYCLOPENTA(A)PHENANTHREN-17-YL)-PENTANOIC ACID ME ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)OC)C1CCC2C1(C(=O)C=C3C2CCC4C3(CCC(C4)OC(=O)C)C)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C=C3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Technology Process of 5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate

There total 45 articles about 5beta-Chol-9(11)-en-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, 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: 89.0%

: 5143-55-5
methyl 3α-acetoxy-12-oxo-5β-cholan-24-oate

: 4472-02-0
methyl 3α-acetoxy-12-oxo-5β-chol-9(11)-en-24-oate

Guidance literature:: With 3-iodosylbenzoic acid; diphenyl diselenide; In toluene; for 96h; Heating;

Reference yield: 63.0%

: 30365-63-0
methyl 3α-acetoxy-5β-chol-9(11)-en-24-oate

: 1311972-67-4
C₃₁H₅₀O₆

: 4472-02-0
methyl 3α-acetoxy-12-oxo-5β-chol-9(11)-en-24-oate

Guidance literature:: methyl 3α-acetoxy-5β-chol-9(11)-en-24-oate; With tert.-butylhydroperoxide; sodium hypochlorite; In water; ethyl acetate; at 0 - 5 ℃; for 7h;

With sodium sulfite; In ethyl acetate;

With pyridinium chlorochromate; In ethyl acetate; Product distribution / selectivity;

Reference yield: 62.0%

: 30365-63-0
methyl 3α-acetoxy-5β-chol-9(11)-en-24-oate

: 4472-02-0
methyl 3α-acetoxy-12-oxo-5β-chol-9(11)-en-24-oate

Guidance literature:: methyl 3α-acetoxy-5β-chol-9(11)-en-24-oate; With tert.-butylhydroperoxide; sodium hypochlorite; In water; ethyl acetate; at 0 ℃; for 8 - 10h;

With sodium sulfite; In water; ethyl acetate; at 50 - 55 ℃; for 2h;

With pyridinium chlorochromate; In ethyl acetate; at 25 - 30 ℃; for 6 - 8h; Product distribution / selectivity;