ambiguine A
Chemical Formula:
C26H31N2CL
Molecular Weight:
406.997 Daltons
Monoisotopic Mass:
407.2254017476 Daltons
SMILES:
C=CC(C)(C)C3(NC1(=CC=CC2(C([CH]4([CH](C(C1=2)=3)C([N+]#[C-])C(C)(C=C)C(Cl)C4))(C)C)))
InChI:
1S/C26H31ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h9-13,16,18,20,23,29H,1-2,14H2,3-7H3/t16-,18+,20-,23+,26-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-20775
PubChem (CID):
21610112