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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O5
Molecular Weight 416.5503
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-EXOMETHYLENESIMVASTATIN

SMILES

[H][C@]12[C@H](CC(=C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(=O)O3)OC(=O)C(C)(C)CC

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 416.5503
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 Fri Dec 15 19:50:36 UTC 2023
Edited
by admin
on Fri Dec 15 19:50:36 UTC 2023
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
EPA CompTox
DTXSID10153319
Created by admin on Fri Dec 15 19:50:36 UTC 2023 , Edited by admin on Fri Dec 15 19:50:36 UTC 2023
PRIMARY
CAS
121624-18-8
Created by admin on Fri Dec 15 19:50:36 UTC 2023 , Edited by admin on Fri Dec 15 19:50:36 UTC 2023
PRIMARY
PUBCHEM
15925972
Created by admin on Fri Dec 15 19:50:36 UTC 2023 , Edited by admin on Fri Dec 15 19:50:36 UTC 2023
PRIMARY
FDA UNII
72UQ8975UG
Created by admin on Fri Dec 15 19:50:36 UTC 2023 , Edited by admin on Fri Dec 15 19:50:36 UTC 2023
PRIMARY
Related Record Type Details
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