Tunnistetiedot

11alpha-Hydroxycanrenone

Ei ilmoitettu · C22H28O4

01Tunnistetiedot

Lazychem ID	LC-46933
CAS RN	Ei ilmoitettu
PubChem CID	10861210
Molecular formula	C22H28O4
Molecular weight	356.5 g/mol
IUPAC name	(8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
InChIKey	RJTDWMKVQUPGSY-NYTLBARGSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of 11alpha-Hydroxycanrenone — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O
InChI	Ei ilmoitettu

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

2 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.