perakine

Chemical Formula:

C₂₁H₂₂N₂O₃

Molecular Weight:

350.416 Daltons

Monoisotopic Mass:

350.1630425829 Daltons

SMILES:

CC4([CH](C=O)[CH]3(C5(C(OC(=O)C)C26(C1(C(=CC=CC=1)N=C2[CH](C3)N4[CH]5C6)))))

InChI:

1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12+,13-,16-,17-,18?,20+,21?/m0/s1

InChIKey:

GDXJMOGWONJRHL-GIELRJASSA-N

Synonyms

raucaffrine
(17R,20α,21β)-1,2-didehydro-1-demethyl-17-(acetyloxy)-21-methyl-18-norajmalan-19-al

Databases

MetaCyc: CPDMETA-13651

ChEBI: 63168

PubChem (CID): 49874486 135397963

Seed: cpd21171

MetaNetX: MNXM5260

KEGG: C19932