Obeticholic Acid Impurity 49(S-EMCA)

cas: 1199796-29-6 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 49(S-EMCA) (CAS 1199796-29-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number15349O-10mg
cas1199796-29-6
size10mg
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
Hubei YoungXin 10mg price on request
Hubei YoungXin 25mg price on request
Hubei YoungXin 50mg price on request
Hubei YoungXin 100mg price on request
Hubei YoungXin 200mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-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]-2-methylpentanoic acid (CAS 1199796-29-6) is a chemical compound with the molecular formula C27H46O5 and a molecular weight of 450.7 g/mol. IUPAC name: (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-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]-2-methylpentanoic acid. InChIKey: NPBCMXATLRCCLF-IRRLEISYSA-N.

Identity
Molecular formulaC27H46O5
Molecular weight450.7 g/mol
IUPAC name(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-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]-2-methylpentanoic acid
InChIKeyNPBCMXATLRCCLF-IRRLEISYSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: S-EMCA, 6alpha-Ethyl-23(S)-methylcholic acid, 6alpha-ethyl-23(S)-methyl-cholic acid, 6A-Ethyl-23(S)-methylcholic acid, orb1709405, 6|_-Ethyl-23(S)-methylcholic acid
Related forms of this compound
(2R,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-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]-2-methylpentanoic acid C27H46O5
Isomers (same molecular formula)
(6R)-2-methyl-6-[(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]heptanoic acid C27H46O5
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one C27H46O5
(6R)-2-(trideuteriomethyl)-6-[(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]heptanoic acid C27H46O5
(2R,6R)-2-methyl-6-[(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]heptanoic acid C27H46O5
(6R)-2-methyl-6-[(3S,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]heptanoic acid C27H46O5
2,6,13,16,19-pentaoxapentacyclo[18.4.4.47,12.01,20.07,12]dotriacontane C27H46O5

Also listed as

INT-777 Chemat Brand CAS 1199796-29-6
INT-777/ 99.89% (existing batch purity) TargetMol CAS 1199796-29-6
INT–777 GLPBio CAS 1199796-29-6
6A-Ethyl-23(S)-methylcholic acid Biosynth CAS 1199796-29-6
6α-Ethyl-23(S)-methylcholic acid, 99%, 99% Chemat CAS 1199796-29-6
INT-777, 99.80% MedChemExpress CAS 1199796-29-6