Chemical identity

(R,S)-Equol

CAS 94105-90-5 · C15H14O3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-00544
PubChem CID382975
Name(R,S)-Equol
CAS RN94105-90-5
Molecular formulaC15H14O3
Molecular weight242.27 g/mol
IUPAC name3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
InChIKeyADFCQWZHKCXPAJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 382975
Two-dimensional chemical structure of (R,S)-Equol, CAS 94105-90-5
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESOC1=CC=C(CC(C2=CC=C(O)C=C2)CO3)C3=C1
InChINot listed
Formula from structureC15H14O3
Molecular weight from structure242.27 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 94105-90-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 94105-90-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Daidzein

View API and impurity family

Other names

  • 3-(4-hydroxyphenyl)chroman-7-ol
  • 7, 4'-Homoisoflavane
  • 4', 7-Dihydroxyisoflavane
  • 3-(4-Hydroxyphenyl)-3, 4-dihydro-2H-1-benzopyran-7-ol

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources