Cyclopiazonic acid

enlarge

Systematic / IUPAC Name: 10-Acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one

ID: Reference6192

Other Names: 9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11B-hexahydro-11-hydroxy-7,7-dimethyl-, (6aα,11a,11bα)-;
CPA

Formula: C20H20N2O3

Class: Natural Toxins

Spectral Data

Cyclopiazonic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1350
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/2/2017 2:21:45 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3
InChI Key SZINUGQCTHLQAZ-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
CAS 18172333
Splash
Other Names 9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11B-hexahydro-11-hydroxy-7,7-dimethyl-, (6aα,11a,11bα)-;
CPA

In Other Databases

PubChem 54675761
ChEMBL CHEMBL1325652
ChemSpider 19453438
Wikipedia Cyclopiazonic acid