3-α(S)-strictosidine

3-α(<i>S</i>)-strictosidine




Chemical Formula:
C27H35N2O9
Molecular Weight:
531.581 Daltons
Monoisotopic Mass:
531.2342557328 Daltons
SMILES:
C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)OC)=COC4OC5(OC(C(C(C5O)O)O)CO))
InChI:
1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/p+1/t13-,16+,19+,20+,22+,23-,24+,26+,27-/m1/s1
InChIKey:
XBAMJZTXGWPTRM-AWTFMMIESA-O

Synonyms
  • strictosidine

Databases
MetaCyc:  STRICTOSIDINE
ChEBI:  17559
PubChem (CID):  44123291
KEGG:  C03470
CAS:  20824-29-7
Seed:  cpd02193
MetaNetX:  MNXM1360