Identitet

(+)-Decursinol

Inte angivet · C14H14O4

01Identitet

Lazychem IDLC-107634
CAS RNInte angivet
PubChem CID442127
Molecular formulaC14H14O4
Molecular weight246.26 g/mol
IUPAC name(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
InChIKeyBGXFQDFSVDZUIW-LBPRGKRZSA-N

02Struktur och stereokemi

2D structurePubChem CID 442127
Two-dimensional chemical structure of (+)-Decursinol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
InChIInte angivet

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

05Namn och relationer

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Inte angivet

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      06Källor