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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O5
Molecular Weight 416.5513
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-EXOMETHYLENESIMVASTATIN

SMILES

CCC(C)(C)C(=O)O[C@@]1([H])CC(=C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@]3([H])C[C@]([H])(CC(=O)O3)O)[C@]21[H]

InChI

InChIKey=WDTQWJUBUXHODX-BGYTUHEHSA-N
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

HIDE SMILES / InChI

Molecular Formula C25H36O5
Molecular Weight 416.5513
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:02:01 UTC 2021
Edited
by admin
on Sat Jun 26 01:02:01 UTC 2021
Record UNII
72UQ8975UG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-EXOMETHYLENESIMVASTATIN
Common Name English
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
Common Name English
SIMVASTATIN, 6-EXOMETHYLENE-
Common Name English
SIMVASTATIN, 3-EXOMETHYLENE-
Common Name English
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.))-
Common Name English
Code System Code Type Description
CAS
121624-18-8
Created by admin on Sat Jun 26 01:02:01 UTC 2021 , Edited by admin on Sat Jun 26 01:02:01 UTC 2021
PRIMARY
PUBCHEM
15925972
Created by admin on Sat Jun 26 01:02:01 UTC 2021 , Edited by admin on Sat Jun 26 01:02:01 UTC 2021
PRIMARY
FDA UNII
72UQ8975UG
Created by admin on Sat Jun 26 01:02:01 UTC 2021 , Edited by admin on Sat Jun 26 01:02:01 UTC 2021
PRIMARY
EPA CompTox
121624-18-8
Created by admin on Sat Jun 26 01:02:01 UTC 2021 , Edited by admin on Sat Jun 26 01:02:01 UTC 2021
PRIMARY
Related Record Type Details
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