Ketohydroxy-Estratriene

01Identita

Lazychem ID	LC-54730
CAS RN	Neuvedené
PubChem CID	698
Molecular formula	C18H22O2
Molecular weight	270.4 g/mol
IUPAC name	3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKey	DNXHEGUUPJUMQT-UHFFFAOYSA-N

02Štruktúra a stereochémia

Two-dimensional chemical structure of Ketohydroxy-Estratriene — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

SMILES	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
InChI	Neuvedené

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres4Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 16Before 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.

CAS not listed

DNXHEGUUPJUMQT-UHFFFAOYSA-N

Current configuration

Estriol EP Impurity B

CAS 53-16-7

DNXHEGUUPJUMQT-CBZIJGRNSA-N

4 defined, 0 unassigned centres

Estrone-2,4,16,16-d4

CAS not listed

DNXHEGUUPJUMQT-QSPUTOQOSA-N

4 defined, 0 unassigned centres

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.

Ketohydroxy-Estratriene

01Identita

02Štruktúra a stereochémia

03Stereochemistry

Published same-connectivity configurations