fumigaclavine A

Chemical Formula:

C₁₈H₂₃N₂O₂

Molecular Weight:

299.392 Daltons

Monoisotopic Mass:

299.17595299289997 Daltons

SMILES:

CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(OC(C)=O)1)2)C=CC=C3NC=4))))

InChI:

1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/p+1/t10-,15+,17+,18-/m0/s1

InChIKey:

GJSSYQDXZLZOLR-IMKJFWDFSA-O

Synonyms

isofumigaclavine A
(2R,3S,4S,7R)-3-(acetyloxy)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),9,12,14-tetraen-6-ium
6,8β-dimethylergolin-9β-yl acetate

Databases

MetaCyc: CPD-14468

PubChem (CID): 70678801

ChEBI: 67145

Seed: cpd23355

HMDB: HMDB30202

MetaNetX: MNXM97064

KEGG: C20436