ambiguine D
Chemical Formula:
C26H29N2O3CL
Molecular Weight:
452.98 Daltons
Monoisotopic Mass:
453.19449554970004 Daltons
SMILES:
C=CC6(C)(C(Cl)C[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/C26H29ClN2O3/c1-8-23(6)16(27)12-15-21(2,3)13-10-9-11-14-17(13)24(30)20(29-14)22(4,5)18-19(32-18)25(23,28-7)26(15,24)31/h8-11,15-16,18-19,30-31H,1,12H2,2-6H3/t15-,16-,18?,19?,23+,24-,25+,26-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20780
PubChem (CID):
134820075