8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate

• ChemBase ID: 105380
• Molecular Formular: C23H34O5
• Molecular Mass: 390.51306
• Monoisotopic Mass: 390.24062419
• SMILES: CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
• Canonical SMILES: CCC(C(=O)OC1CCC=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)C
• InChI: InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3
• InChIKey: AJLFOPYRIVGYMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
• IUPAC Traditional name: mevastatin
• Synonyms: Compactin; MEVASTATIN

Database IDs

• CAS Number: 73573-88-3
• PubChem SID: 162092338
• PubChem CID: 2854

CALCULATED PROPERTIES

• Acid pKa: 14.914537
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6151679
• LogD (pH = 7.4): 3.6151679
• Log P: 3.6151679
• Molar Refractivity: 108.6338 cm^3
• Polarizability: 42.577927 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152°C

Safety Information

• Storage Condition: 2-8°C, Desiccate, Store Under Nitrogen, Protect from light
• RTECS: EK7907100

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02159971

(Compactin) Purity: 95% HMG-CoA reductase inhibitor.