8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate

HCID 3962CAS 79952-43-5

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

Experimental & physicochemical properties

DrugsPharmaceuticals

Related reactions

3 records

Linked notes

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