2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid

Catalog No. :: ACFGGU859
CAS No. :: 863239-61-6
Molecular Formula :: C28H49NO6S
Molecular Weight :: 527.77

IUPAC Name:2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid

2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid structure diagram

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Product Information

Product Name	2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
IUPAC Name	2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
MDL No.	MFCD00953614
Molecular Formula	C28H49NO6S
Molecular Weight	527.77
SMILES	CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12
InChI Key	JEZXQTZLWHAKAC-NQGMLVFVSA-N
Synonym	Obeticholic Acid Impurity 4/Tauro-Obeticholic Acid/2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid;Ethanesulfonic acid, 2-[[(3α,5β,6α,7α)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl]amino]-;Obeticholic Acid Impurity 56;Tauro-Obeticholic Acid DISCONTINUED. Please see T009025.;2H4]-Tauro-obeticholic acid;microorganisms,FXR,Tauro-Obeticholic acid,colon,NR1H4,TauroObeticholic acid,inhibit,ileum,Inhibitor,Tauro Obeticholic acid,metabolite，liver;Tauro-Obeticholic Acid;Tauro-Obeticholic acid, 10 mM in DMSO
CAS No.	863239-61-6
PubChem CID	122201312

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2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid

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1. ACFGGU859 Molecular Building Block Synthetic Route

2. ACFGGU859 Molecular Building Block Synthetic Route

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2-((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid

Product Information

Synthetic Route by SureRoute

2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid

2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid

Sodium 2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate

sodium 2-((4R)-4-((3R,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate

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