INT-777

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

INT-777 (CAS 1199796-29-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULO056017
cas1199796-29-6
sizeon request
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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
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

Also listed as

Obeticholic Acid Impurity 49(S-EMCA) Hubei YoungXin 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
INT-777 99% Ambeed 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