Tożsamość

Dehydromonacolin N

Nie podano · C21H28O4

01Tożsamość

Lazychem ID	LC-40074
CAS RN	Nie podano
PubChem CID	56957482
Molecular formula	C21H28O4
Molecular weight	344.4 g/mol
IUPAC name	[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] acetate
InChIKey	WIPNMFLFZURMNZ-GIVJZPSRSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of Dehydromonacolin N — 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, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3CC=CC(=O)O3)OC(=O)C
InChI	Nie podano

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.