Identiteta

Beraprost Impurity 66

Ni navedeno · C25H32O5

01Identiteta

Lazychem ID	LC-38786
CAS RN	Ni navedeno
PubChem CID	69215975
Molecular formula	C25H32O5
Molecular weight	412.5 g/mol
IUPAC name	methyl 4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
InChIKey	KJJSQLNNCPOREA-UHFFFAOYSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Beraprost Impurity 66 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, 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	CC#CCC(C)C(C=CC1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)OC)O)O
InChI	Ni navedeno

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres6Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 64Before 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.