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73573-88-3 molecular structure
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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 and InChIs

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

Cite this record

CBID:105380 http://www.chembase.cn/molecule-105380.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
73573-88-3
PubChem SID
162092338
PubChem CID
2854

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02159971 external link Add to cart Please log in.
Data Source Data ID
PubChem 2854 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.914537  H Acceptors
H Donor LogD (pH = 5.5) 3.6151679 
LogD (pH = 7.4) 3.6151679  Log P 3.6151679 
Molar Refractivity 108.6338 cm3 Polarizability 42.577927 Å3
Polar Surface Area 72.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
152°C expand Show data source
Storage Condition
2-8°C, Desiccate, Store Under Nitrogen, Protect from light expand Show data source
RTECS
EK7907100 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02159971 external link
(Compactin) Purity: 95% HMG-CoA reductase inhibitor.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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