56973-66-1
9,9'-DI-O-(E)-FERULOYLSECOISOLARICIRESINOL
Name9,9'-DI-O-(E)-FERULOYLSECOISOLARICIRESINOL
1Identification
【Name】
9,9'-DI-O-(E)-FERULOYLSECOISOLARICIRESINOL
【CAS】
【MDL】
MFCD20260808
【English Synonyms】
【Formula】
C40 H42 O12
【MolWeight】
714.76
【Inchi】
InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9+,16-10+/t29-,30-/m0/s1
【InChIKey】
InChIKey=MOFDLYLEJWQRHD-KYHQCPCQSA-N
【SMILES】
COc1cc(ccc1O)C[C@@H](COC(=O)/C=C/c2ccc(c(c2)OC)O)[C@@H](Cc3ccc(c(c3)OC)O)COC(=O)/C=C/c4ccc(c(c4)OC)O
【MOL File】
9,9'-DI-O-(E)-FERULO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9,9'-DI-O-(E)-FERULOYLSECOISOLARICIRESINOL.cml