Sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

Catalog No. :: ACDFGX299
CAS No. :: 134452-13-4
Molecular Formula :: C25H39NaO7
Molecular Weight :: 474.57

IUPAC Name:sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

Sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate structure diagram

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Product Information

Product Name	Sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate
IUPAC Name	sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate
Molecular Formula	C25H39NaO7
Molecular Weight	474.57
SMILES	O=C([O-])C[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=CC(CO)C[C@H](OC(C(C)(C)CC)=O)[C@]12[H].[Na+]
InChI Key	RXAZZPBMZAGLFJ-KYBYJIBGSA-M
Synonym	6'-HYDROXYMETHYL SIMVASTATIN ACID SODIUM SALT;[1S-[1α(βS,δR),2α,6α,8β,8aα]]-;1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-6-(hydroxymethyl)-2-methyl-, [1S-[1α(βS,δR),2α,6α,8β,8aα]]- (9CI)
CAS No.	134452-13-4

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ACDFGX299134452-13-4

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ACDFGX299134452-13-4

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Sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

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1. ACDFGX299 Molecular Building Block Synthetic Route

2. ACDFGX299 Molecular Building Block Synthetic Route

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Sodium (3R,5R)-7-((1S,2S,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

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Synthetic Route by SureRoute

Sodium (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

Ammonium (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

(3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid

calcium (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate

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