5085-85-8
2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRAMETHYL-TRIDECA-2,5,7,11-TETRAENYL]-5,6-DIMETHOXY-3-METHYL-1H-PYRIDIN-4-ONE
Name2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRAMETHYL-TRIDECA-2,5,7,11-TETRAENYL]-5,6-DIMETHOXY-3-METHYL-1H-PYRIDIN-4-ONE
1Identification
【Name】
2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRAMETHYL-TRIDECA-2,5,7,11-TETRAENYL]-5,6-DIMETHOXY-3-METHYL-1H-PYRIDIN-4-ONE
【CAS】
【MDL】
MFCD19707203
【English Synonyms】
2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRAMETHYL-TRIDECA-2,5,7,11-TETRAENYL]-5,6-DIMETHOXY-3-METHYL-1H-PYRIDIN-4-ONE
【Formula】
C25 H37 N O4
【MolWeight】
415.57
【Inchi】
InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1
【InChIKey】
InChIKey=BBLGCDSLCDDALX-LKGBESRRSA-N
【SMILES】
C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(=O)c(c([nH]1)OC)OC)C)/C)O
【MOL File】
2-[(2E,5E,7E,9R,10R,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRAMETHYL-TRIDECA-2,5,7,11-TETRAENYL]-5,6-DIMETHOXY-3-METHYL-1H-PYRIDIN-4-ONE.cml