ambiguine J
Chemical Formula:
C26H30N2O3
Molecular Weight:
418.535 Daltons
Monoisotopic Mass:
419.2334678718 Daltons
SMILES:
C=CC6(C)(CC[CH]3(C1(O)(C(C5(OC(C(C)(C)C2(C(O)1C4(C(N=2)=CC=CC(C3(C)C)=4)))5))([N+]#[C-])6)))
InChI:
1S/C26H30N2O3/c1-8-23(6)13-12-16-21(2,3)14-10-9-11-15-17(14)24(29)20(28-15)22(4,5)18-19(31-18)25(23,27-7)26(16,24)30/h8-11,16,18-19,29-30H,1,12-13H2,2-6H3/t16-,18?,19?,23+,24-,25+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20781
PubChem (CID):
134820097