Identiteit

Podophyllotoxin Impurity 5

Niet vermeld · C21H22O8

01Identiteit

Lazychem IDLC-49703
CAS RNNiet vermeld
PubChem CID3010625
Molecular formulaC21H22O8
Molecular weight402.4 g/mol
IUPAC name(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
InChIKeyAIEQNTGIFXFNRB-BTINSWFASA-N

02Structuur en stereochemie

2D structurePubChem CID 3010625
Two-dimensional chemical structure of Podophyllotoxin Impurity 5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCOC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC(=C(C=C24)O)O)O
InChINiet vermeld

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Status in India

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

05Namen en relaties

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