6,8-dimethyl-6,7,8,9-tetradehydroergoline

Chemical Formula:

C₁₆H₁₇N₂

Molecular Weight:

237.324 Daltons

Monoisotopic Mass:

237.13917355610002 Daltons

SMILES:

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

InChI:

1S/C16H17N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8-9,13,15,17H,7H2,1-2H3/q+1/t13-,15-/m1/s1

InChIKey:

CATKRDCRCIXECQ-UKRRQHHQSA-N

Synonyms

(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),3,5,9,12,14-hexaen-6-ium

Databases

MetaCyc: CPD-14460

KEGG: C20457

PubChem (CID): 57339211

MetaboLights: MTBLC65036

ChEBI: 65036

MetaNetX: MNXM97146