(13S,14R)-13-O-acetyl-1-hydroxy-N-methylcanadine

(13<i>S</i>,14<i>R</i>)-13-<i>O</i>-acetyl-1-hydroxy-<i>N</i>-methylcanadine




Chemical Formula:
C23H26NO7
Molecular Weight:
428.461 Daltons
Monoisotopic Mass:
428.1709271945 Daltons
SMILES:
CC(=O)O[CH]3([CH]5(C1(C(=CC2(OCOC(C(O)=1)=2))CC[N+](CC4(C(=C(OC)C=CC3=4)OC))(C)5)))
InChI:
1S/C23H25NO7/c1-12(25)31-22-14-5-6-16(27-3)21(28-4)15(14)10-24(2)8-7-13-9-17-23(30-11-29-17)20(26)18(13)19(22)24/h5-6,9,19,22H,7-8,10-11H2,1-4H3/p+1/t19-,22+,24?/m1/s1
InChIKey:
UNFCTLFLKCGAOK-LOMQJKJHSA-O

Databases
MetaCyc:  CPD-14829
PubChem (CID):  90657368 86278052
MetaNetX:  MNXM103481
ChEBI:  141640
KEGG:  C21588