Tunnistetiedot

Deoxycorticosterone acetate

Ei ilmoitettu · C23H32O4

01Tunnistetiedot

Lazychem ID	LC-54455
CAS RN	Ei ilmoitettu
PubChem CID	5952
Molecular formula	C23H32O4
Molecular weight	372.5 g/mol
IUPAC name	[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChIKey	VPGRYOFKCNULNK-ACXQXYJUSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Deoxycorticosterone acetate — 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(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI	Ei ilmoitettu

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.