Chemical identity

16-Keto 17β-Estradiol /16-Ketoestradiol /16-Oxo-17β-estradiol/16-Oxoestradiol/ 16-Oxoestradiol-17β

CAS 566-75-6 · C18H22O3

01Identity

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

Lazychem IDLC-04209
PubChem CID66417
Name16-Keto 17β-Estradiol /16-Ketoestradiol /16-Oxo-17β-estradiol/16-Oxoestradiol/ 16-Oxoestradiol-17β
CAS RN566-75-6
Molecular formulaC18H22O3
Molecular weight286.37 g/mol
IUPAC name(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,13,14, 15,17-decahydro-16H-cyclopenta[a]phenanthren-16-one
InChIKeyKJDGFQJCHFJTRH-YONAWACDSA-N

02Structure identifiers

2D structurePubChem CID 66417
Two-dimensional chemical structure of 16-Keto 17β-Estradiol /16-Ketoestradiol /16-Oxo-17β-estradiol/16-Oxoestradiol/ 16-Oxoestradiol-17β, CAS 566-75-6
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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)O
InChINot listed
Formula from structureC18H22O3
Molecular weight from structure286.37 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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.

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 566-75-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 566-75-6 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

Estradiol

View associated product family

Other names

  • 16-Keto 17β-Estradiol
  • 16-Ketoestradiol
  • 16-Oxo-17?-estradiol
  • 16-Oxoestradiol
  • 16-Oxoestradiol-17?
  • 566-75-6
  • (8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
  • 6CE096RR70
  • NSC-51169
  • J108.088A
  • DTXSID5040386
  • Estra-1,3,5(10)-trien-16-one, 3,17-dihydroxy-, (17beta)-

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