Identitāte

(Rac)-3'-Hydroxy simvastatin

Nav norādīts · C25H38O6

01Identitāte

Lazychem ID	LC-37674
CAS RN	Nav norādīts
PubChem CID	74603305
Molecular formula	C25H38O6
Molecular weight	434.6 g/mol
IUPAC name	[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxy-2,2-dimethylbutanoate
InChIKey	MTOKLGKFIIZWRP-UHFFFAOYSA-N

02Struktūra un stereoķīmija

Two-dimensional chemical structure of (Rac)-3'-Hydroxy simvastatin — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)C(C)(C)C(C)O
InChI	Nav norādīts

03Stereochemistry

The published structure contains 0 defined and 8 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres8Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.