Identiteit

Andrographolide Impurity 2

Niet vermeld · C24H32O7

01Identiteit

Lazychem ID	LC-45671
CAS RN	Niet vermeld
PubChem CID	11854376
Molecular formula	C24H32O7
Molecular weight	432.5 g/mol
IUPAC name	4-[[1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl]oxy]-4-oxobutanoic acid
InChIKey	UPWAQTLZMKEAML-AATRIKPKSA-N

02Structuur en stereochemie

Two-dimensional chemical structure of Andrographolide Impurity 2 — 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	CC12CCC(C(C1CCC(=C)C2/C=C/C3=CCOC3=O)(C)CO)OC(=O)CCC(=O)O
InChI	Niet vermeld

03Stereochemistry

The published structure contains 0 defined and 5 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres5Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 32Before 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.