paspaline
Chemical Formula:
C28H39NO2
Molecular Weight:
421.622 Daltons
Monoisotopic Mass:
421.2980795013 Daltons
SMILES:
CC(O)(C)[CH]1(O[CH]2(C(C)(CC1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))
InChI:
1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-16741
KEGG:
C20530
PubChem (CID):
115028
MetaNetX:
MNXM146438