3-epoxy-16-methoxy-2,3-dihydrotabersonine

Chemical Formula:

C₂₂H₂₇N₂O₄

Molecular Weight:

383.466 Daltons

Monoisotopic Mass:

383.1970823655 Daltons

SMILES:

CCC16(C=CC[N+]5(CCC3(C4(C=CC(OC)=CC(NC2(OC(C(=O)OC)(C1)2)3)=4))[CH]56))

InChI:

1S/C22H26N2O4/c1-4-19-8-5-10-24-11-9-20(17(19)24)15-7-6-14(26-2)12-16(15)23-22(20)21(13-19,28-22)18(25)27-3/h5-8,12,17,23H,4,9-11,13H2,1-3H3/p+1/t17-,19-,20+,21?,22?/m0/s1

InChIKey:

BOHJHCDMBHKGFD-OGQGWYMCSA-O

Databases

MetaCyc: CPD-19893

PubChem (CID): 129320315