Identidad

Nilestriol Impurity 8

No indicado · C25H32O3

01Identidad

Lazychem ID	LC-36134
CAS RN	No indicado
PubChem CID	118726078
Molecular formula	C25H32O3
Molecular weight	380.5 g/mol
IUPAC name	(8R,9S,13S,14S,16R,17S)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
InChIKey	CHZJRGNDJLJLAW-QCPNHMKVSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Nilestriol Impurity 8 — 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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C#C)O)O)CCC4=C3C=CC(=C4)OC5CCCC5
InChI	No indicado

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.