6,7-O,O-dimethyl-N-deacetylisoipecoside aglycon
Chemical Formula:
C21H28NO6
Molecular Weight:
390.455 Daltons
Monoisotopic Mass:
390.1916626366 Daltons
SMILES:
C=C[CH]3(C(OC=C(C(=O)OC)[CH](C[CH]2([N+]CCC1(C=C(C(OC)=CC=12)OC)))3)O)
InChI:
1S/C21H27NO6/c1-5-13-15(16(20(23)27-4)11-28-21(13)24)9-17-14-10-19(26-3)18(25-2)8-12(14)6-7-22-17/h5,8,10-11,13,15,17,21-22,24H,1,6-7,9H2,2-4H3/p+1/t13-,15+,17+,21-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14814
PubChem (CID):
90658144
MetaNetX:
MNXM114462