methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Catalog No. :: ACNDGT235
CAS No. :: 10538-59-7
Molecular Formula :: C25H40O4
Molecular Weight :: 404.59

IUPAC Name:methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate structure diagram

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Product Name	methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
IUPAC Name	methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Molecular Formula	C25H40O4
Molecular Weight	404.59
SMILES	COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key	FNBYYFMYNRYPPC-YLOOLPOOSA-N
Synonym	7-ketolithocholic Methyl ester;Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate;Methyl 3alpha-hydroxy-7-oxo-5beta-cholan-24-oate;Obeticholic Acid N-4;obeticholic acid intermediate 2;5β-Cholanic acid, 3α-hydroxy-7-oxo-, methyl ester;route 3 intermediate2;Methyl 7-keto-3α-hydroxy-5β-cholanoate
CAS No.	10538-59-7

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ACNDGT23510538-59-7

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methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

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1. ACNDGT235 Molecular Building Block Synthetic Route

2. ACNDGT235 Molecular Building Block Synthetic Route

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methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

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Synthetic Route by SureRoute

methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

(R)-4-((3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

(4R)-4-((3R,5R,8R,9S,10S,13R,14S)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

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