Identita

Diethynyl-gestodene

Neuvedené · C23H26O

01Identita

Lazychem ID	LC-36973
CAS RN	Neuvedené
PubChem CID	89704297
Molecular formula	C23H26O
Molecular weight	318.5 g/mol
IUPAC name	(8R,9S,10R,13S,14S,17R)-13-ethyl-3,17-diethynyl-2,7,8,9,10,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-17-ol
InChIKey	CEIVCFKHBAQBJW-GOMYTPFNSA-N

02Štruktúra a stereochémia

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

The parsed structure contains 4 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1C=C[C@]2(C#C)O)C#C
InChI	Neuvedené

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.