Products 3057-04-3

CAS 3057-04-3 appears in our catalog under these names: Chenodeoxycholic Acid Methyl Ester, Methyl Chenodeoxycholate, >95.0%(GC), (R)-Methyl 4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, 97%, 97%. Offered by: TRC, TCI, Chemat. Available pack sizes: 2,5g, 250mg, 200mg, 1g, 100mg.

Chenodeoxycholic Acid Methyl Ester
TRC
  • size: 2,5g, 250mg
  • Variants: 2
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Methyl Chenodeoxycholate, >95.0%(GC)
TCI
  • size: 200mg, 1g
  • Variants: 2
from 364.21
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(R)-Methyl 4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, 97%, 97%
Chemat
  • size: 100mg, 250mg, 1g
  • Variants: 3
from 472.40
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 3057-04-3) is a chemical compound with the molecular formula C25H42O4 and a molecular weight of 406.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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: GRQROVWZGGDYSW-IFJDUOSNSA-N.

Identity
Molecular formulaC25H42O4
Molecular weight406.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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
InChIKeyGRQROVWZGGDYSW-IFJDUOSNSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl chenodeoxycholate, Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7alpha)-, Chenodeoxycholic acid methyl ester, Methyl chenodoxycholate, Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-oate, Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-, Chenodeoxycholic acid methyl, Methyl chenodesoxycholate, Methyl 3|A,7|A-Dihydroxy-5|A-cholan-24-oate, 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid Methyl ester
Related forms of this compound
methyl (4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 C25H42O4
methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 C25H42O4
methyl (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 C25H42O4
Isomers (same molecular formula)
methyl (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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 C25H42O4
methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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 C25H42O4
methyl (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-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 C25H42O4
methyl (4R)-4-[(3R,5R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,12-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H42O4