Identita

16-Hydroxytabersonine

Neuvedeno · C21H24N2O3

01Identita

Lazychem ID	LC-50926
CAS RN	Neuvedeno
PubChem CID	443326
Molecular formula	C21H24N2O3
Molecular weight	352.4 g/mol
IUPAC name	methyl (1R,12R,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
InChIKey	FXUFRJQCBVSCRZ-ACRUOGEOSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of 16-Hydroxytabersonine — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	5
Secondary amines	1
Tertiary amines	1

SMILES	CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)O)C(=O)OC
InChI	Neuvedeno

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.