ambiguine B
Chemical Formula:
C26H31N2OCL
Molecular Weight:
422.997 Daltons
Monoisotopic Mass:
423.2203163697 Daltons
SMILES:
C=CC(C)(C)C3(NC1(=CC=CC2(C([CH]4(C(O)(C(C1=2)=3)C([N+]#[C-])C(C)(C=C)C(Cl)C4))(C)C)))
InChI:
1S/C26H31ClN2O/c1-9-23(3,4)21-20-19-15(12-11-13-16(19)29-21)24(5,6)17-14-18(27)25(7,10-2)22(28-8)26(17,20)30/h9-13,17-18,22,29-30H,1-2,14H2,3-7H3/t17-,18-,22+,25+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20778
PubChem (CID):
21610113