17-O-acetylajmaline

Chemical Formula:

C₂₂H₂₈N₂O₃

Molecular Weight:

368.475 Daltons

Monoisotopic Mass:

368.2099927755 Daltons

SMILES:

CC[CH]4([CH]3(C5(C(OC(=O)C)C26(C1(C(=CC=CC=1)N(C)[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))

InChI:

1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/t12-,13+,16-,17-,18?,19-,20+,21+,22?/m0/s1

InChIKey:

SRISWFJLVRCABV-QQTHMAAHSA-N

Synonyms

acetylajmaline

Databases

MetaCyc: CPD-8898

PubChem (CID): 91820293

KEGG: C15985

Seed: cpd14709

MetaNetX: MNXM4256