fumigaclavine C

Chemical Formula:

C₂₃H₃₁N₂O₂

Molecular Weight:

367.51 Daltons

Monoisotopic Mass:

367.2385532497 Daltons

SMILES:

C=CC(C)(C)C4(=C2(C[CH]1([CH](C(OC(C)=O)C(C[N+](C)1)C)C3(=C2C(=CC=C3)N4))))

InChI:

1S/C23H30N2O2/c1-7-23(4,5)22-16-11-18-20(15-9-8-10-17(24-22)19(15)16)21(27-14(3)26)13(2)12-25(18)6/h7-10,13,18,20-21,24H,1,11-12H2,2-6H3/p+1/t13-,18+,20+,21-/m0/s1

InChIKey:

OSICWVVWEXKSBD-LFAYTRTRSA-O

Synonyms

(2R,3S,4S,7R)-3-(acetyloxy)-4,6-dimethyl-10-(2-methylbut-3-en-2-yl)-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),9,12,14-tetraen-6-ium

Databases

MetaCyc: CPD-14469

PubChem (CID): 70678782

ChEBI: 67147

Seed: cpd23360

MetaNetX: MNXM53988

KEGG: C20438