Products 135013-42-2

CAS 135013-42-2 appears in our catalog under these names: N–butyl Lithocholic Acid, N-Butyl lithocholic acid. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 25mg, 5mg, 25 mg, 5 mg, 10 mg, 1 mg.

N–butyl Lithocholic Acid
GLPBio
  • size: 1mg, 10mg, 25mg, 5mg
  • Variants: 4
from 643.84
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N-Butyl lithocholic acid
MedChemExpress
  • size: 25 mg, 5 mg, 10 mg, 1 mg
  • Variants: 4
from 598.33
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Structural formula: {0} (CAS {1})

Butyl (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]pentanoate (CAS 135013-42-2) is a chemical compound with the molecular formula C28H48O3 and a molecular weight of 432.7 g/mol. IUPAC name: butyl (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]pentanoate. InChIKey: DVARNCCRARJWLO-WQKHHYSQSA-N.

Identity
Molecular formulaC28H48O3
Molecular weight432.7 g/mol
IUPAC namebutyl (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]pentanoate
InChIKeyDVARNCCRARJWLO-WQKHHYSQSA-N
SMILESCCCCOC(=O)CC[C@@H](C)[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: N-Butyl lithocholic acid, orb2815798
Isomers (same molecular formula)
(5S,8R,9S,10S,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C28H48O3
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid C28H48O3
(2R,3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid C28H48O3