4',4'-dihydroxyechinenone
Chemical Formula:
C40H54O3
Molecular Weight:
582.865 Daltons
Monoisotopic Mass:
582.4072955997001 Daltons
SMILES:
CC(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(O)(O)CCC2(C)C)C)
InChI:
1S/C40H54O3/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-26-38(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)40(42,43)28-27-39(36,9)10/h11-24,42-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey:
Databases
MetaCyc:
CPD-20425
ChEBI:
140676
PubChem (CID):
131841503