(3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine

Chemical Formula:

C₂₂H₂₉N₂O₄

Molecular Weight:

385.482 Daltons

Monoisotopic Mass:

385.2127324297 Daltons

SMILES:

CCC25(C=CC[N+]4(CCC1(C3(C=CC(OC)=CC(N[CH]1C(C(OC)=O)(O)C2)=3))[CH]45))

InChI:

1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/p+1/t17-,18+,20+,21+,22-/m1/s1

InChIKey:

MLIQIRKAHMVCDD-MMGCJVFTSA-O

Databases

MetaCyc: 16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON

ChEBI: 58485

PubChem (CID): 25203805

KEGG: C04578

Seed: cpd02787

MetaNetX: MNXM1988