Products 2276-94-0

CAS 2276-94-0 appears in our catalog under these names: Allolithocholic Acid, Allolithocholic acid, >95% (HPLC), Allolithocholic acid, Allolithocholic acid/ 98%, Allolithocholic acid, 99.69%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 100mg, 10mg, 50mg, 1mg, 5mg, 2mg, 5 mg.

Allolithocholic Acid
Chemat Brand, Biosynth, Sigma-Aldrich
  • size: on request, 2mg, 5mg, 10mg
  • Variants: 6
from 669.20
View product
Allolithocholic acid, >95% (HPLC)
TRC
  • size: 100mg, 10mg, 50mg
  • Variants: 3
View product
Allolithocholic acid
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 877.87
View product
Allolithocholic acid/ 98%
TargetMol
  • size: 1mg
  • Variants: 1
from 1454.96
View product
Allolithocholic acid, 99.69%
MedChemExpress
  • size: 5 mg, 1 mg, 10 mg
  • Variants: 3
from 649.42
View product
Allolithocholic acid (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
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