4'-hydroxyechinenone
Chemical Formula:
C40H54O2
Molecular Weight:
566.865 Daltons
Monoisotopic Mass:
566.4123809776 Daltons
SMILES:
CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)O)C)
InChI:
1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,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-17652
ChEBI:
140610
PubChem (CID):
11757672
MetaNetX:
MNXM722959