α-cyclopiazonate

Chemical Formula:

C₂₀H₁₉N₂O₃

Molecular Weight:

335.382 Daltons

Monoisotopic Mass:

336.1473925187 Daltons

SMILES:

CC(=C2(C(N1(C(C5(C(C1C2=O)C3(C4(=C(NC=3)C=CC=C4C5))))(C)C))=O))[O-]

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/h4-6,8,12,16-17,21,23H,7H2,1-3H3/p-1/b14-9-/t12-,16+,17+/m1/s1

InChIKey:

CNZIQHGDUXRUJS-PTNHGACKSA-M

Synonyms

(6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
α-cyclopiazonic acid

Databases

MetaCyc: ALPHA-CYCLOPIAZONATE

RefMet: alpha-cyclopiazoni alpha-cyclopiazonic acid

ChEBI: 58256

KEGG: C03032

PubChem (CID): 25244026

NCI: 117181

CAS: 18172-33-3

MetaNetX: MNXM4444