Structure database (LMSD)

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LM IDLMFA05000695
Common NamePravastatin
Systematic Name(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-
1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Synonyms-
Exact Mass
424.2461 (neutral)    Calculate m/z:
FormulaC23H36O7
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID54687
KEGG IDC01844
HMDB IDHMDB0005022
CHEBI ID63618
InChIKeyTUZYXOIXSAXUGO-PZAWKZKUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-1
6(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27
,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
SMILES[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O)=C[C@@H](O)C[C@@H]2O
C([C@@H](C)CC)=O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings2Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
432.71Topological Polar
Surface Area
124.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP3.59Molar
Refractivity
113.49