Identité

Andrographolide Impurity 2

Non indiqué · C24H32O7

01Identité

Lazychem IDLC-45671
CAS RNNon indiqué
PubChem CID11854376
Molecular formulaC24H32O7
Molecular weight432.5 g/mol
IUPAC name4-[[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
InChIKeyUPWAQTLZMKEAML-AATRIKPKSA-N

02Structure et stéréochimie

2D structurePubChem CID 11854376
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.
SMILESCC12CCC(C(C1CCC(=C)C2/C=C/C3=CCOC3=O)(C)CO)OC(=O)CCC(=O)O
InChINon indiqué

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.

04Statut en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources