Identiteta

Dexamethasone acefurate

Ni navedeno · C29H33FO8

01Identiteta

Lazychem ID	LC-50441
CAS RN	Ni navedeno
PubChem CID	656777
Molecular formula	C29H33FO8
Molecular weight	528.6 g/mol
IUPAC name	[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
InChIKey	DDIWRLSEGOVQQD-BJRLRHTOSA-N

02Struktura in stereokemija

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

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C
InChI	Ni navedeno

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before 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.