methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Base Information

Chemical Name:methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS No.:57706-68-0
Molecular Formula:C₃₀H₄₆O₆
Molecular Weight:502.692
Hs Code.:
NSC Number:34202
DSSTox Substance ID:DTXSID00973301
Wikidata:Q82957188

methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Synonyms:NSC34202;57706-68-0;DTXSID00973301;NSC-34202;Methyl 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate;Cholan-24-oic acid,4,14-trimethyl-7,11-dioxo-, methyl ester, (3.beta.,5.alpha.)-;Cholan-24-oic acid, 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxo-, methyl ester, (3-beta-5-

Suppliers and Price of methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Total 2 raw suppliers

Chemical Property of methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Chemical Property:

Vapor Pressure:1.61E-12mmHg at 25°C
Boiling Point:558.8°Cat760mmHg
Flash Point:232.7°C
Density:1.12g/cm³
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:502.32943918
Heavy Atom Count:36
Complexity:953

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)OC)C1CCC2(C1(CC(=O)C3C2C(=O)CC4C3(CCC(C4(C)C)OC(=O)C)C)C)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@H]3[C@H]2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C

Technology Process of methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

There total 4 articles about methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[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:

: 57706-74-8
(R)-methyl-4-((3S,5R,10S,13R,14R,17R)-3-acetoxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

: 57706-68-0
3β-Acetoxy-7,11-dioxo-4,4,14α-trimethyl-5α-cholan-24-oic acid methyl ester

Guidance literature:: With acetic acid; zinc; for 1h; Heating;
DOI:10.1007/BF00959594

Reference yield:

: 3β-Acetoxy-9,11β-oxido-7-oxo-4,4,14α-trimethyl-5α-cholan-24-oic acid methyl ester

: 57706-68-0
3β-Acetoxy-7,11-dioxo-4,4,14α-trimethyl-5α-cholan-24-oic acid methyl ester

: 3β,11β-Diacetoxy-7-oxo-4,4,14α-trimethyl-19(10->9β)abeo-10α-chol-5-en-24-oic acid methyl ester

: 3β,11β-Diacetoxy-7-oxo-4,4,14α-trimethyl-19(10->9β)abeo-5α-chol-1(10)-en-24-oic acid methyl ester

: 79862-71-8
3β,7,11β-Triacetoxy-4,4,14α-trimethyl-19(10->9β)abeo-5α-chola-1(10),6-dien-24-oic acid methyl ester

Guidance literature:: With boron trifluoride diethyl etherate; acetic anhydride; for 0.0833333h; Ambient temperature;
DOI:10.1016/0039-128X(81)90028-3