6-O-methyl-N-deacetylisoipecoside
Chemical Formula:
C26H36NO11
Molecular Weight:
538.57 Daltons
Monoisotopic Mass:
538.2288360039 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)OC4(C(O)C(C(O)C(CO)O4)O))
InChI:
1S/C26H35NO11/c1-4-13-15(8-17-14-9-18(29)19(34-2)7-12(14)5-6-27-17)16(24(33)35-3)11-36-25(13)38-26-23(32)22(31)21(30)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-32H,1,5-6,8,10H2,2-3H3/p+1/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14812
PubChem (CID):
90658977
MetaNetX:
MNXM114463