6-O-methyl-N-deacetylisoipecoside aglycon
Chemical Formula:
C20H26NO6
Molecular Weight:
376.428 Daltons
Monoisotopic Mass:
376.1760125724 Daltons
SMILES:
C=C[CH]3(C(OC=C(C(=O)OC)[CH](C[CH]2([N+]CCC1(C=C(C(O)=CC=12)OC)))3)O)
InChI:
1S/C20H25NO6/c1-4-12-14(15(19(23)26-3)10-27-20(12)24)8-16-13-9-17(22)18(25-2)7-11(13)5-6-21-16/h4,7,9-10,12,14,16,20-22,24H,1,5-6,8H2,2-3H3/p+1/t12-,14+,16+,20-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14813
PubChem (CID):
90658018
MetaNetX:
MNXM114464