deacetylisoipecoside





Chemical Formula:
C25H34NO11
Molecular Weight:
524.544 Daltons
Monoisotopic Mass:
524.2131859397 Daltons
SMILES:
C=C[CH]3(C(OC=C(C(=O)OC)[CH](C[CH]2([N+]CCC1(C=C(C(O)=CC=12)O)))3)OC4(C(O)C(C(O)C(CO)O4)O))
InChI:
1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/p+1/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1

Synonyms
  • N-deacetylisoipecoside
  • (1S)-deacetylisoipecoside

Databases
ChEBI:  58091
PubChem (CID):  25201999
KEGG:  C07304
Seed:  cpd04512
MetaNetX:  MNXM3253