ambiguine E
Chemical Formula:
C26H29N2O2CL
Molecular Weight:
436.98 Daltons
Monoisotopic Mass:
437.19958092760004 Daltons
SMILES:
C=CC6(C)(C(Cl)C[CH]3(C1(O)(C(C5(OC(C(C)(C)C2(=C1C4(C(N2)=CC=CC(C3(C)C)=4)))5))([N+]#[C-])6)))
InChI:
1S/C26H29ClN2O2/c1-8-24(6)16(27)12-15-22(2,3)13-10-9-11-14-17(13)18-19(29-14)23(4,5)20-21(31-20)26(24,28-7)25(15,18)30/h8-11,15-16,20-21,29-30H,1,12H2,2-6H3/t15-,16-,20?,21?,24+,25-,26+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20777
PubChem (CID):
134820447