Identità

Beraprost Impurity 6

Non indicato · C26H34O5

01Identità

Lazychem ID	LC-38602
CAS RN	Non indicato
PubChem CID	71127274
Molecular formula	C26H34O5
Molecular weight	426.5 g/mol
IUPAC name	ethyl 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
InChIKey	CIWDPWVHEMMKAR-BIVCLZOWSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Beraprost Impurity 6 — 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, 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	CCOC(=O)CCCC1=C2C(=CC=C1)[C@H]3[C@@H](O2)C[C@H]([C@@H]3/C=C/[C@H]([C@@H](C)CC#CC)O)O
InChI	Non indicato

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.