Products 80846-41-9

CAS 80846-41-9 appears in our catalog under these names: 12-oxo-Glycolithocholic Acid, Glyco-12-oxolithocholanoic acid. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

12-oxo-Glycolithocholic Acid
Chemat Brand
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  • Variants: 1
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Glyco-12-oxolithocholanoic acid
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid (CAS 80846-41-9) is a chemical compound with the molecular formula C26H41NO5 and a molecular weight of 447.6 g/mol. IUPAC name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid. InChIKey: GEFDLAGKQTXZFZ-FCHIASMESA-N.

Identity
Molecular formulaC26H41NO5
Molecular weight447.6 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
InChIKeyGEFDLAGKQTXZFZ-FCHIASMESA-N
SMILESC[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: orb3145298, 3alpha-hydroxy-12-oxo-5beta-cholanoyl glycine