N1,N8-bis(sinapoyl)-spermidine

<i>N</i><sup>1</sup>,<i>N</i><sup>8</sup>-bis(sinapoyl)-spermidine




Chemical Formula:
C29H40N3O8
Molecular Weight:
558.65 Daltons
Monoisotopic Mass:
558.2815402764 Daltons
SMILES:
COC2(=C(O)C(OC)=CC(C=CC(NCCCC[N+]CCCNC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))=O)=C2)
InChI:
1S/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)/p+1/b10-8+,11-9+
InChIKey:
PMOOGLRNGWRADJ-GFULKKFKSA-O

Databases
MetaCyc:  CPD-17698
ChEBI:  85006
PubChem (CID):  90659864
MetaNetX:  MNXM146596
KEGG:  C21170