methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Base Information

Chemical Name:methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
CAS No.:18069-51-7
Molecular Formula:C25H40O4
Molecular Weight:404.59
Hs Code.:
NSC Number:81200
Mol file:18069-51-7.mol

methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Synonyms:NSC81200;18069-51-7;NSC-81200

Suppliers and Price of methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

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 3 raw suppliers

Chemical Property of methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Chemical Property:

Vapor Pressure:2.42E-12mmHg at 25°C
Boiling Point:505.7°Cat760mmHg
Flash Point:162.2°C
Density:1.085g/cm³
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:404.29265975
Heavy Atom Count:29
Complexity:659

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)O)C)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C

Technology Process of methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

There total 2 articles about methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 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: 74.0%

: 6818-41-3,20230-63-1,81519-43-9
methyl deoxycholate 3,12-bis(trimethylsilyl ether)

: 1912-56-7,1912-65-8,2569-05-3,2934-50-1,3245-38-3,20231-66-7,28050-36-4,60103-19-7,60103-20-0,60103-21-1,80225-61-2,81702-91-2
(R)-4-((3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 1985-15-5,3623-41-4,18069-51-7,20231-68-9,28050-47-7
(R)-4-((3R,5R,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-12-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 1174-86-3,28057-90-1,60103-18-6
(S)-4-((5R,8S,9S,10S,13R,14S,17R)-10,13-Dimethyl-3,12-dioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 10538-58-6,14772-89-5,99591-01-2,132089-92-0
(R)-4-((5R,8S,9S,10S,12S,13R,14S,17R)-12-Hydroxy-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

Guidance literature:: With hydrogenchloride; oxalyl dichloride; dimethyl sulfoxide; triethylamine; Yield given. Multistep reaction; 1.) CH₂Cl₂, -40 deg C, 45 min; 2.) methanol;

Reference yield: 40.0%

: 1912-56-7,1912-65-8,2569-05-3,2934-50-1,3245-38-3,20231-66-7,28050-36-4,60103-19-7,60103-20-0,60103-21-1,80225-61-2,81702-91-2
(R)-4-((3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 1985-15-5,3623-41-4,18069-51-7,20231-68-9,28050-47-7
(R)-4-((3R,5R,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-12-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 1174-86-3,28057-90-1,60103-18-6
(S)-4-((5R,8S,9S,10S,13R,14S,17R)-10,13-Dimethyl-3,12-dioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

: 10538-58-6,14772-89-5,99591-01-2,132089-92-0
(R)-4-((5R,8S,9S,10S,12S,13R,14S,17R)-12-Hydroxy-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine;

Reference yield:

: 18069-51-7
3β-hydroxy-12-oxo-5β-cholan-24-oic acid methyl ester

: 2958-05-6
3,12-dioxo-7-deoxycholic acid

Guidance literature:: Multi-step reaction with 2 steps

1: methanol. KOH-solution

2: chromium (VI)-oxide; aqueous acetic acid

With chromium(VI) oxide; potassium hydroxide; acetic acid;
DOI:10.1002/hlca.193702001142