U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H36O6
Molecular Weight 420.54
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6'.BETA.-HYDROXYLOVASTATIN

SMILES

CC[C@]([H])(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=FUCXPWLYQFERRA-QOPMPQMQSA-N
InChI=1S/C24H36O6/c1-5-14(2)23(27)30-20-13-24(4,28)12-16-7-6-15(3)19(22(16)20)9-8-18-10-17(25)11-21(26)29-18/h6-7,12,14-15,17-20,22,25,28H,5,8-11,13H2,1-4H3/t14-,15-,17+,18+,19-,20-,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H36O6
Molecular Weight 420.54
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:12:29 UTC 2021
Edited
by admin
on Sat Jun 26 13:12:29 UTC 2021
Record UNII
5533E53W0Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6'.BETA.-HYDROXYLOVASTATIN
Common Name English
BUTANOIC ACID, 2-METHYL-, (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, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
5533E53W0Y
Created by admin on Sat Jun 26 13:12:29 UTC 2021 , Edited by admin on Sat Jun 26 13:12:29 UTC 2021
PRIMARY
PUBCHEM
68178378
Created by admin on Sat Jun 26 13:12:29 UTC 2021 , Edited by admin on Sat Jun 26 13:12:29 UTC 2021
PRIMARY
CAS
125638-71-3
Created by admin on Sat Jun 26 13:12:29 UTC 2021 , Edited by admin on Sat Jun 26 13:12:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP3A
PLASMA