7'-O-demethylcephaeline
Chemical Formula:
C27H38N2O4
Molecular Weight:
454.608 Daltons
Monoisotopic Mass:
454.2831577186 Daltons
SMILES:
CC[CH]3(C[N+]4([CH](C[CH](C[CH]2(C1(C(=CC(O)=C(O)C=1)CC[N+]2)))3)C5(=C(CC4)C=C(OC)C(OC)=C5)))
InChI:
1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/p+2/t16-,19-,22+,23-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14818
PubChem (CID):
90657704
MetaNetX:
MNXM102132