Identitet

2-Methoxyestrone

Ikke angivet · C19H24O3

01Identitet

Lazychem ID	LC-107701
CAS RN	Ikke angivet
PubChem CID	440624
Molecular formula	C19H24O3
Molecular weight	300.4 g/mol
IUPAC name	(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKey	WHEUWNKSCXYKBU-QPWUGHHJSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of 2-Methoxyestrone — 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 stereocentres	4
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O
InChI	Ikke angivet

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

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.