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ChemicalBook--->CAS DataBase List--->121009-77-6

121009-77-6

121009-77-6 Structure

121009-77-6 Structure
IdentificationBack Directory
[Name]

simvastatin acid
[CAS]

121009-77-6
[Synonyms]

Tenivastatin
simvastatin acid
Simvastatin hydroxy acid
Simvastatin Acid D6Q: What is Simvastatin Acid D6 Q: What is the CAS Number of Simvastatin Acid D6
(βR,δR,1S)-8α-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8aβ-hexahydro-β,δ-dihydroxy-2β,6α-dimethyl-1β-naphthaleneheptanoic acid
(3R,5R)-3,5-Dihydroxy-7-[(1S)-1-(2,2-dimethylbutyryloxy)-3β,7α-dimethyl-1,2,3,7,8,8aα-hexahydronaphthalene-8α-yl]heptanoic acid
2,2-Dimethylbutyric acid (1S)-3β,7α-dimethyl-8α-[(3R,5R)-3,5-dihydroxy-6-carboxyhexyl]-1,2,3,7,8,8aα-hexahydronaphthalene-1β-yl ester
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, (βR,δR,1S,2S,6R,8S,8aR)-
2,2-Dimethylbutanoic acid [(1S)-1,2,3,7,8,8aα-hexahydro-3β,7α-dimethyl-8α-[(3R,5R)-3,5-dihydroxy-6-carboxyhexyl]naphthalen]-1β-yl ester
(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-di methyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptan oic acid
[Molecular Formula]

C25H40O6
[MDL Number]

MFCD00870460
[MOL File]

121009-77-6.mol
[Molecular Weight]

436.585
Chemical PropertiesBack Directory
[Boiling point ]

607.0±55.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[pka]

4.31±0.10(Predicted)
[EPA Substance Registry System]

1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-?,?-dihydroxy-2,6-dimethyl-, (?R,?R,1S,2S,6R,8S,8aR)- (121009-77-6)
Hazard InformationBack Directory
[Definition]

ChEBI: Simvastatin hydroxy acid is a carbonyl compound.
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