Allolithocholic Acid

cas: 2276-94-0 — see every product listed under this CAS number, including other names

Allolithocholic Acid (CAS 2276-94-0) is a chemical reagent available from Chemat. Available pack sizes: on request, 1mg, 10mg, 5mg, 2mg. Offered by: Chemat Brand, GLPBio, Biosynth, Sigma-Aldrich.

brandChemat Brand
catalog numberULL1815
cas2276-94-0
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Available pack sizes

brand size price
Chemat Brand on request price on request
GLPBio 1mg 877.87 Pln
GLPBio 10mg 2310.10 Pln
GLPBio 5mg 1533.14 Pln
Biosynth 2mg price on request
Biosynth 5mg price on request
Biosynth 10mg price on request
Sigma-Aldrich 5MG 1830.00 Pln
Chemat 1mg 669.20 Pln

properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Allolithocholic acid is a bile acid.

Source: ChEBI

Identity
Molecular formulaC24H40O3
Molecular weight376.6 g/mol
IUPAC name(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeySMEROWZSTRWXGI-NWFSOSCSSA-N
SMILESC[C@H](CCC(=O)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)O)C)C

Computed by PubChem (NCBI)

Synonyms: Allolithocholic acid, 3alpha-Hydroxy-5alpha-cholan-24-oic Acid, AlloLCA, Cholan-24-oic acid,3-hydroxy-, (3a,5a)-, 3a-Hydroxy-5a-cholanoic acid, orb1983059, orb3141059, (3alpha,5alpha)-3-Hydroxycholan-24-oic acid
Related forms of this compound
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
Isomers (same molecular formula)
(4R)-4-[(5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
(4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C24H40O3
2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol C24H40O3
2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol C24H40O3
2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol C24H40O3
2-[(1R,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol C24H40O3

Also listed as

Allolithocholic acid, >95% (HPLC) TRC CAS 2276-94-0
Allolithocholic acid GLPBio CAS 2276-94-0
Allolithocholic acid/ 98% TargetMol CAS 2276-94-0
Allolithocholic acid, 99.69% MedChemExpress CAS 2276-94-0
Allolithocholic acid (Standard) MedChemExpress CAS 2276-94-0