Azonosítás

Andrographolide Impurity 1

Nincs megadva · C24H32O7

01Azonosítás

Lazychem IDLC-45670
CAS RNNincs megadva
PubChem CID11854622
Molecular formulaC24H32O7
Molecular weight432.5 g/mol
IUPAC name4-[[2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid
InChIKeyIMRHEMKBYISRIQ-AATRIKPKSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 11854622
Two-dimensional chemical structure of Andrographolide Impurity 1
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 stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC12CCC(C(C1CCC(=C)C2/C=C/C3=CCOC3=O)(C)COC(=O)CCC(=O)O)O
InChINincs megadva

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

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