Идентичност

Trilostane Impurity 3

Не е посочено · C20H27NO3

01Идентичност

Lazychem ID	LC-40752
CAS RN	Не е посочено
PubChem CID	51064132
Molecular formula	C20H27NO3
Molecular weight	329.4 g/mol
IUPAC name	(1S,2R,6S,8R,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
InChIKey	KVJXBPDAXMEYOA-AJUHELNSSA-N

02Структура и стереохимия

Two-dimensional chemical structure of Trilostane Impurity 3 — 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 8 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@]45[C@@]3(CC(=C([C@@H]4O5)O)C#N)C
InChI	Не е посочено

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

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.