Basic information
- Standard SMILES
CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21- InChIKey
TUZYXOIXSAXUGO-UHFFFAOYSA-N- Molecular formula
- C23H36O7
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.24610348
Overview
3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid is a carbonyl compound.
Names & identifiers
- Preferred name
- 3,5-Dihydroxy-7-(6-hydroxy-2-methyl-8-((2-methylbutanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid
- IUPAC
- 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
Names & synonyms
DTXSID208610343,5-Dihydroxy-7-(6-hydroxy-2-methyl-8-((2-methylbutanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid3,5-Dihydroxy-7-{6-hydroxy-2-methyl-8-[(2-methylbutanoyl)oxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl}heptanoic acidRefChem:1065913DTXCID60197223Pravastatin Impurity A3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acidSCHEMBL967719CHEMBL1617336CHEBI:94322HMS5085M15
Show more names
s5713753414-90-3IP182103BRD-A11170096-001-01-8Q27166145(3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-((S)-2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-heptanoic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 656
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
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Compound notes
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