Chemical identity

17β-Dihydro Equilin

CAS 3563-27-7 · C18H22O2

01Identity

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

Lazychem IDLC-31369
PubChem CID11954027
Name17β-Dihydro Equilin
CAS RN3563-27-7
Molecular formulaC18H22O2
Molecular weight270.37 g/mol
IUPAC nameEstra-1, 3, 5(10), 7-tetraene-3, 17β-diol;
InChIKeyNLLMJANWPUQQTA-UBDQQSCGSA-N

02Structure identifiers

2D structurePubChem CID 11954027
Two-dimensional chemical structure of 17β-Dihydro Equilin, CAS 3563-27-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CC[C@@H]2O
InChINot listed
Formula from structureC18H22O2
Molecular weight from structure270.37 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

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 3563-27-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 3563-27-7 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

Equilin / Estradiol

View API and impurity family

Other names

  • Estradiol Impurity I
  • beta-Dihydroequilin
  • 3563-27-7
  • 17beta-Dihydroequilin
  • ESTRA-1,3,5(10),7-TETRAENE-3,17BETA-DIOL
  • WXG88DST4R
  • NSC-12170
  • Estra-1,3,5(10),7-tetraene-3,17-diol, (17beta)-
  • RefChem:1079677
  • 222-633-3
  • 17b-Dihydro Equilin
  • 7-dehydro-17beta-estradiol

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