cephaeline
Chemical Formula:
C28H40N2O4
Molecular Weight:
468.635 Daltons
Monoisotopic Mass:
468.2988077828 Daltons
SMILES:
CC[CH]3(C[N+]4([CH](C[CH](C[CH]2(C1(C(=CC(O)=C(OC)C=1)CC[N+]2)))3)C5(=C(CC4)C=C(OC)C(OC)=C5)))
InChI:
1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/p+2/t17-,20-,23+,24-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14816
PubChem (CID):
40467974
KEGG:
C09390
ChEBI:
3533
Seed:
cpd06285
MetaNetX:
MNXM10905