ambiguine K
Chemical Formula:
C26H29N2OCL
Molecular Weight:
420.981 Daltons
Monoisotopic Mass:
421.20466630550004 Daltons
SMILES:
C=CC5(C)(C(Cl)C[CH]3(C1(O)(C(C=CC(C)(C)C2(=C1C4(C(N2)=CC=CC(C3(C)C)=4)))([N+]#[C-])5)))
InChI:
1S/C26H29ClN2O/c1-8-24(6)18(27)14-17-23(4,5)15-10-9-11-16-19(15)20-21(29-16)22(2,3)12-13-25(24,28-7)26(17,20)30/h8-13,17-18,29-30H,1,14H2,2-6H3/t17-,18-,24+,25+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20783
PubChem (CID):
44139368