3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Base Information

Chemical Name:3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
CAS No.:1508-94-7
Molecular Formula:C26H44 O3
Molecular Weight:404.634
Hs Code.:
NSC Number:404756,33050
DSSTox Substance ID:DTXSID40474923
Nikkaji Number:J1.252.622I
Wikidata:Q82305093

Synonyms:1508-94-7;NSC33050;3, 5-oxo-;SCHEMBL2161763;DTXSID40474923;NSC-33050;NSC404756;NSC-404756;5-Oxo-4-nor-3,5-secocholestane-3-oic acid;1H-Benz[e]indene-6-propionic acid,5-dimethylhexyl)-dodecahydro-3a,6-dimethyl-7-oxo-;3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Suppliers and Price of 3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Supply Marketing:

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

Manufacturers and distributors:

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Total 3 raw suppliers

Chemical Property of 3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:519.6°Cat760mmHg
Flash Point:282.1°C
Density:0.996g/cm³
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:404.32904526
Heavy Atom Count:29
Complexity:611

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(=O)C3(C)CCC(=O)O)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=O)[C@]3(C)CCC(=O)O)C

Technology Process of 3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

There total 17 articles about 3-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-Dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid 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%

: 601-57-0
Cholest-4-en-3-one

: 1508-94-7
3,5-seco-4-nor-cholestan-5-one-3-oic acid

Guidance literature:: With potassium permanganate; sodium periodate; sodium carbonate; In water; isopropyl alcohol; for 1h; Heating;
DOI:10.1016/j.steroids.2008.01.022

Reference yield: 10.0%

: 4ξ,5ξ-dihydroxycholestan-3-one

: 1508-94-7
3,5-seco-4-nor-cholestan-5-one-3-oic acid

: 2318-68-5
5α-formyl-4-oxacholestan-3-one

Guidance literature:: With periodic acid; In methanol; water; at 25 ℃; for 3h;
DOI:10.1135/cccc19930925

Reference yield: 10.0%

: 4ξ,5ξ-dihydroxycholestan-3-one

: 1508-94-7
3,5-seco-4-nor-cholestan-5-one-3-oic acid

: 3β,5-epoxy-A-homo-4a-oxa-5β-cholestan-3α,4β-diol

: 3α,5-epoxy-A-homo-4a-oxa-5α-cholestan-3β,4α-diol

Guidance literature:: With lead(IV) acetate; acetic acid; In benzene; at 25 ℃; for 3h; Product distribution; other keto diols, var. solvents;
DOI:10.1135/cccc19930925