loader
Please Wait
Applying Filters...

EuroAPI Header EuroAPI Header

X

Technical details about Lovastatin Lactone, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. Also known as: Chembl503, Lovastatin lactone, Schembl9612788, Bdbm50004774, As-14196, (lovastatin)2-methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
Molecular Formula
C24H36O5
Molecular Weight
404.5  g/mol
InChI Key
PCZOHLXUXFIOCF-KVVRZSONSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
2.1.2 InChI
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
2.1.3 InChI Key
PCZOHLXUXFIOCF-KVVRZSONSA-N
2.1.4 Canonical SMILES
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
2.1.5 Isomeric SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Chembl503

2. Lovastatin Lactone

3. Schembl9612788

4. Bdbm50004774

5. As-14196

6. (lovastatin)2-methyl-butyric Acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl Ester

7. (s)-2-methyl-butyric Acid (1s,3r,7s,8s,8ar)-8-[2-((r)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl Ester

8. 2-methyl-butyric Acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl Ester(mevinolin)

2.3 Create Date
2006-04-14
3 Chemical and Physical Properties
Molecular Weight 404.5 g/mol
Molecular Formula C24H36O5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass404.25627424 g/mol
Monoisotopic Mass404.25627424 g/mol
Topological Polar Surface Area72.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Post Enquiry
POST ENQUIRY