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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O6
Molecular Weight 434.5666
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXYSIMVASTATIN, (6S)-

SMILES

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

InChI

InChIKey=WJKSTNFUSXHVRJ-ZEUMIXTGSA-N
InChI=1S/C25H38O6/c1-6-24(3,4)23(28)31-20-14-25(5,29)13-16-8-7-15(2)19(22(16)20)10-9-18-11-17(26)12-21(27)30-18/h7-8,13,15,17-20,22,26,29H,6,9-12,14H2,1-5H3/t15-,17+,18+,19-,20-,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H38O6
Molecular Weight 434.5666
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 Sat Jun 26 00:51:30 UTC 2021
Edited
by admin
on Sat Jun 26 00:51:30 UTC 2021
Record UNII
5KRT0D2FNQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYSIMVASTATIN, (6S)-
Common Name English
SIMVASTATIN, 3-HYDROXY-, (3S)-
Common Name English
SIMVASTATIN, 6-HYDROXY-, (6S)-
Common Name English
BUTANOIC ACID, 2,2-DIMETHYL-, 1,2,3,7,8,8A-HEXAHYDRO-3-HYDROXY-3,7-DIMETHYL-8-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER, (1S-(1.ALPHA.,3.BETA.,7.BETA.,8.BETA.(2S*,4S*),8A.BETA.))-
Common Name English
BUTANOIC ACID, 2,2-DIMETHYL-, (1S,3S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-3-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
CAS
129464-60-4
Created by admin on Sat Jun 26 00:51:30 UTC 2021 , Edited by admin on Sat Jun 26 00:51:30 UTC 2021
PRIMARY
FDA UNII
5KRT0D2FNQ
Created by admin on Sat Jun 26 00:51:30 UTC 2021 , Edited by admin on Sat Jun 26 00:51:30 UTC 2021
PRIMARY
PUBCHEM
25221209
Created by admin on Sat Jun 26 00:51:30 UTC 2021 , Edited by admin on Sat Jun 26 00:51:30 UTC 2021
PRIMARY
EPA CompTox
129464-60-4
Created by admin on Sat Jun 26 00:51:30 UTC 2021 , Edited by admin on Sat Jun 26 00:51:30 UTC 2021
PRIMARY
Related Record Type Details
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