Identiteet

6alpha-Methylcortisone

Pole loetletud · C22H30O5

01Identiteet

Lazychem ID	LC-43922
CAS RN	Pole loetletud
PubChem CID	15069784
Molecular formula	C22H30O5
Molecular weight	374.5 g/mol
IUPAC name	(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
InChIKey	LFHCHUSZEOMASY-PQXSVQADSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of 6alpha-Methylcortisone — 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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C(=O)CO)O
InChI	Pole loetletud

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before 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.