Identita

Simvastatin Hydroxy Acid Ethyl Ester

Neuvedeno · C27H44O6

01Identita

Lazychem ID	LC-37927
CAS RN	Neuvedeno
PubChem CID	71752200
Molecular formula	C27H44O6
Molecular weight	464.6 g/mol
IUPAC name	ethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChIKey	VVAUQJHCHXQKFR-MLKWKJRISA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Simvastatin Hydroxy Acid Ethyl Ester — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC)O)O)C
InChI	Neuvedeno

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

2 records

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.