Products 52886-39-2

CAS 52886-39-2 appears in our catalog under these names: (3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxycholan-2,2,3,4,4-d5-24-oic Acid Methyl Ester, Methyl cholate-d5. Offered by: TRC, MedChemExpress. Available pack sizes: 1mg, 2,5mg, 5mg, 1 mg, 5 mg, 2.5 mg.

(3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxycholan-2,2,3,4,4-d5-24-oic Acid Methyl Ester
TRC
  • size: 1mg, 2,5mg, 5mg
  • Variants: 3
View product
Methyl cholate-d5
MedChemExpress
  • size: 1 mg, 5 mg, 2.5 mg
  • Variants: 3
from 2274.82
View product
Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 52886-39-2) is a chemical compound with the molecular formula C25H42O5 and a molecular weight of 427.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: DLYVTEULDNMQAR-SNXNNRLESA-N.

Identity
Molecular formulaC25H42O5
Molecular weight427.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyDLYVTEULDNMQAR-SNXNNRLESA-N
SMILES[2H][C@]1(C(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C)([2H])[2H])O

Computed by PubChem (NCBI)

Synonyms: (3a,5b,7a,12a)-3,7,12-Trihydroxycholan-2,2,3,4,4-d5-24-oic Acid Methyl Ester
Related forms of this compound
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 C25H42O5