17-O-acetylnorajmaline

17-<i>O</i>-acetylnorajmaline




Chemical Formula:
C21H26N2O3
Molecular Weight:
354.448 Daltons
Monoisotopic Mass:
354.1943427113 Daltons
SMILES:
CC[CH]4([CH]3(C5(C(OC(=O)C)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))
InChI:
1S/C21H26N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h4-7,11-12,15-20,22,25H,3,8-9H2,1-2H3/t11-,12+,15-,16-,17?,18-,19+,20+,21?/m0/s1
InChIKey:
VAOXSMUPPRUEKF-ZXDSMUBISA-N

Synonyms
  • acetylnorajmaline

Databases
MetaCyc:  17-O-ACETYLNORAJMALINE
PubChem (CID):  91820415
MetaboLights:  MTBLC17384
ChEBI:  17384
KEGG:  C11809
Seed:  cpd08613
MetaNetX:  MNXM2061
3DMET:  B04431