Identita

(+)-Equol

Neuvedeno · C15H14O3

01Identita

Lazychem IDLC-83516
CAS RNNeuvedeno
PubChem CID6950272
Molecular formulaC15H14O3
Molecular weight242.27 g/mol
IUPAC name(3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
InChIKeyADFCQWZHKCXPAJ-LBPRGKRZSA-N

02Struktura a stereochemie

2D structurePubChem CID 6950272
Two-dimensional chemical structure of (+)-Equol
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
SMILESC1[C@@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChINeuvedeno

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

3 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Neuvedeno

Názvy a vztahy

    Nečistoty a související sloučeniny

      06Zdroje