6'-Hydroxymethyl Simvastatin

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Catalog Number
ACM128241032
Product Name
6'-Hydroxymethyl Simvastatin
Structure
Structure
CAS
128241-03-2
Category
Heterocyclic Organic Compound
Synonyms
[1S-[1a,3a,7a,8b(2S*,4S*),8ab]]-1,2,3,7,8,8a-hexahydro-3-(hydroxymethyl)-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-py;[1S-[1a,3a,7a,8b(2S*,4S*),8ab]]-1,2,3,7,8,8a-hexahydro-3-(hydroxymethyl)-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethy
IUPAC Name
[(1S,3R,7S,8S,8aR)-3-(hydroxymethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Molecular Weight
434.57
Molecular Formula
C25H38O6
Canonical SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)CO
InChI Key
ATPFRGQBOVFFQM-HGQWONQESA-N
Boiling Point
608.5ºC at 760 mmHg
Melting Point
75-80 °C
Flash Point
200.9ºC
Density
1.16g/cm³
Exact Mass
434.26700
H-Bond Acceptor
6
H-Bond Donor
2
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