Basic information
- Standard SMILES
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21- InChIKey
PCZOHLXUXFIOCF-UHFFFAOYSA-N- Molecular formula
- C24H36O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.25627425
Overview
See also: Lovastatin (annotation moved to).
Names & identifiers
- Preferred name
- 8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
- IUPAC
- [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
Names & synonyms
79952-43-58-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoateDTXSID508609798-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoateRefChem:1074614DTXCID202087638-(2-(4-Hydroxy-6-oxotetrahydro-2h-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoateMSD 803C24H36O5Lovastatin Impurity 10Lovastatin (MK-803)?orb1224071
Show more names
SCHEMBL1130742HMS3371B03HMS5080C04Lovastatin (Mevinolin, MK-803)1002345-93-82-Methyl-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester butanoic acidCQB34593s2061
Database identifiers
- CAS
79952-43-5- PubChem CID
- 3962
- DTXSID
DTXSID50860979
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 666
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
3 records
Linked notes
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