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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O6
Molecular Weight 434.5656
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYSIMVASTATIN

SMILES

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

InChI

InChIKey=KIRUKUNOKFLNSA-MCISNENESA-N
InChI=1S/C25H38O6/c1-6-25(4,5)24(29)31-21-10-14(2)9-16-11-20(27)15(3)19(23(16)21)8-7-18-12-17(26)13-22(28)30-18/h9,11,14-15,17-19,21,23,26-27H,6-8,10,12-13H2,1-5H3/t14-,15+,17+,18+,19-,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H38O6
Molecular Weight 434.5656
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:58 UTC 2023
Edited
by admin
on Fri Dec 15 19:51:58 UTC 2023
Record UNII
WVI85YMP83
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYSIMVASTATIN
Common Name English
SIMVASTATIN, 3-HYDROXY-
Common Name English
BUTANOIC ACID, 2,2-DIMETHYL-, (1S,3R,7R,8R,8AR)-1,2,3,7,8,8A-HEXAHYDRO-6-HYDROXY-3,7-DIMETHYL-8-(2-((2R,4R)-TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
WVI85YMP83
Created by admin on Fri Dec 15 19:51:58 UTC 2023 , Edited by admin on Fri Dec 15 19:51:58 UTC 2023
PRIMARY
CAS
1402570-54-0
Created by admin on Fri Dec 15 19:51:58 UTC 2023 , Edited by admin on Fri Dec 15 19:51:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID80161289
Created by admin on Fri Dec 15 19:51:58 UTC 2023 , Edited by admin on Fri Dec 15 19:51:58 UTC 2023
PRIMARY
PUBCHEM
71588003
Created by admin on Fri Dec 15 19:51:58 UTC 2023 , Edited by admin on Fri Dec 15 19:51:58 UTC 2023
PRIMARY
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