Identiteta

Bisabolol

Ni navedeno · C15H26O

01Identiteta

Lazychem IDLC-98238
CAS RNNi navedeno
PubChem CID1549992
Molecular formulaC15H26O
Molecular weight222.37 g/mol
IUPAC name(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
InChIKeyRGZSQWQPBWRIAQ-LSDHHAIUSA-N

02Struktura in stereokemija

2D structurePubChem CID 1549992
Two-dimensional chemical structure of Bisabolol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
InChINi navedeno

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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 v Indiji

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

05Imena in povezave

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