Cas no 121624-18-8 (6’-Exomethylene Simvastatin)

6’-Exomethylene Simvastatin structure
6’-Exomethylene Simvastatin structure
Product Name:6’-Exomethylene Simvastatin
CAS No:121624-18-8
MF:C25H36O5
MW:416.55034828186
CID:133374
PubChem ID:15925972
Update Time:2025-04-19

6’-Exomethylene Simvastatin Chemical and Physical Properties

Names and Identifiers

    • 6’-Exomethylene Simvastatin Discontinued
    • 6'-EXOMETHYLENE SIMVASTATIN
    • 6’-EXOMETHYLENE SIMVASTATIN
    • Butanoic acid,2,2-dimethyl-,(1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenylester
    • 6`-Exomethylene Simvastatin
    • Manoalide
    • Simvastatin Impurity I
    • WDTQWJUBUXHODX-BGYTUHEHSA-N
    • 6Exomethylene Simvastatin Discontinued
    • 2,2-Dimethylbutanoic Acid (1S,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-7-methyl-3-methylene-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester
    • Simvastatin, 3-exomethylene-
    • NS00116687
    • Simvastatin, 6-exomethylene-
    • J-004548
    • SCHEMBL11961973
    • BUTANOIC ACID, 2,2-DIMETHYL-, 1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-3-METHYLENE-8-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER, (1S-(1.ALPHA.,7.BETA.,8.BETA.(2S*,4S*),8A.BETA.))-
    • 121624-18-8
    • [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
    • Q27266099
    • (1R,7S,8S)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-3-methylene-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
    • Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,7beta,8beta(2S*,4S*),8abeta))-
    • 6-Exomethylenesimvastatin
    • 72UQ8975UG
    • UNII-72UQ8975UG
    • CHEMBL3544663
    • Butanoic acid, 2,2-dimethyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester
    • DTXSID10153319
    • DTXCID5075810
    • Butanoic acid, 2,2-dimethyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-[2-(te
    • 6’-Exomethylene Simvastatin
    • Inchi： 1S/C25H36O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,16,18-21,23,26H,2,6,9-10,12-14H2,1,3-5H3/t16-,18+,19+,20-,21-,23-/m0/s1
    • InChI Key： WDTQWJUBUXHODX-BGYTUHEHSA-N
    • SMILES： O(C(C(C)(C)CC)=O)[C@H]1CC(=C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)O)[C@@H]12

Computed Properties

  • Exact Mass: 416.25600
  • Monoisotopic Mass: 416.25627424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 747
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • PSA: 72.83000
  • LogP: 4.50570

6’-Exomethylene Simvastatin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E959100-1mg
6’-Exomethylene Simvastatin
 121624-18-8
1mg
 $345.00 2023-05-18
TRC
E959100-10mg
6’-Exomethylene Simvastatin
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10mg
 $2738.00 2023-05-18
TRC
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SHENG KE LU SI SHENG WU JI SHU
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