Chemical identity

Estra-5(10),9(11)-diene-3,17-dione

CAS 2503-06-2 · C18H22O2

01Identity

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

Lazychem IDLC-12852
PubChem CID12907417
NameEstra-5(10),9(11)-diene-3,17-dione
CAS RN2503-06-2
Molecular formulaC18H22O2
Molecular weight270.37 g/mol
IUPAC name(8S,13S,14S)-13-methyl-1,4,6,7,8,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione
InChIKeyREHQUZZHQLORLC-RYRKJORJSA-N

02Structure identifiers

2D structurePubChem CID 12907417
2D structure: Estra-5(10),9(11)-diene-3,17-dione, CAS 2503-06-2
Structure of Estra-5(10),9(11)-diene-3,17-dione (CAS 2503-06-2). LazyChem record. Source identity: PubChem CID 12907417. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H22O2
InChIKeyREHQUZZHQLORLC-RYRKJORJSA-N
Ring count4
Defined stereocentres3
Unassigned stereocentres0
SMILESC[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4
InChIInChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8,15-16H,2-7,9-10H2,1H3/t15-,16+,18+/m1/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2503-06-2 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2503-06-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Dienogest

View API and impurity family

Other names

  • Dienogest Impurity 6
  • Dienogest Impurity 39
  • estr-5(10),9(11)-diene-3,17-dione

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