Identitet

Brasilin

Ikke angivet · C16H14O5

01Identitet

Lazychem IDLC-112068
CAS RNIkke angivet
PubChem CID222515
Molecular formulaC16H14O5
Molecular weight286.28 g/mol
IUPAC name7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
InChIKeyUWHUTZOCTZJUKC-UHFFFAOYSA-N

02Struktur og stereokemi

2D structurePubChem CID 222515
Two-dimensional chemical structure of Brasilin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
SMILESC1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O
InChIIkke angivet

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 i Indien

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

05Navne og relationer

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