Products 2025364-15-0

CAS 2025364-15-0 appears in our catalog under these names: Obeticholic Acid-D4, 6–ECDCA–d4, 6-ECDCA-d4. Offered by: TRC, GLPBio, MedChemExpress. Available pack sizes: 50mg, 1mg, 10mg, 5mg, 10 mg, 5 mg, 1 mg.

Obeticholic Acid-D4
TRC
  • size: 50mg
  • Variants: 1
View product
6–ECDCA–d4
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 709.37
View product
6-ECDCA-d4
MedChemExpress
  • size: 10 mg, 5 mg, 1 mg
  • Variants: 3
from 760.87
View product
Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 2025364-15-0) is a chemical compound with the molecular formula C26H44O4 and a molecular weight of 424.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: ZXERDUOLZKYMJM-LMUSDRRCSA-N.

Identity
Molecular formulaC26H44O4
Molecular weight424.6 g/mol
IUPAC name(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyZXERDUOLZKYMJM-LMUSDRRCSA-N
SMILES[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]([C@@H]([C@@H]2C([C@@H]1O)([2H])[2H])CC)O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H]

Computed by PubChem (NCBI)

Related forms of this compound
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoic acid C26H44O4
(4R)-4-[(3S,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6S,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-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]pentanoic acid C26H44O4
Isomers (same molecular formula)
(2-hydroxy-3-phenylmethoxypropyl) hexadecanoate C26H44O4
ethyl (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 C26H44O4
ethyl (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 C26H44O4