Identiteet

Xanthorrhizol

Pole loetletud · C15H22O

01Identiteet

Lazychem IDLC-118167
CAS RNPole loetletud
PubChem CID93135
Molecular formulaC15H22O
Molecular weight218.33 g/mol
IUPAC name2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol
InChIKeyFKWGCEDRLNNZOZ-GFCCVEGCSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 93135
Two-dimensional chemical structure of Xanthorrhizol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC1=C(C=C(C=C1)[C@H](C)CCC=C(C)C)O
InChIPole loetletud

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Pole loetletud

Nimed ja seosed

    Lisandid ja seotud ühendid

      06Allikad