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:
Synonyms
- raucaffrine
- (17R,20α,21β)-1,2-didehydro-1-demethyl-17-(acetyloxy)-21-methyl-18-norajmalan-19-al
Databases
MetaCyc:
CPDMETA-13651
ChEBI:
63168
Seed:
cpd21171
MetaNetX:
MNXM5260
KEGG:
C19932