[(2r,3r)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[(5e,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoyl]oxy]phenyl]chroman-3-yl] 4-hydroxy-3,5-bis[[(5e,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoyl]oxy]benzoate

Structural Information

Molecular Formula

C₁₀₂H₁₃₀O₁₅

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CCCC(=O)OC1=CC(=CC(=C1O)OC(=O)CCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)OC(=O)CCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)O)OC(=O)CCC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC

InChI

InChI=1S/C102H130O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-95(105)112-90-77-84(78-91(99(90)109)113-96(106)74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)101-94(83-87-88(104)81-86(103)82-89(87)116-101)117-102(111)85-79-92(114-97(107)75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)100(110)93(80-85)115-98(108)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h9-16,21-28,33-40,45-52,57-64,77-82,94,101,103-104,109-110H,5-8,17-20,29-32,41-44,53-56,65-76,83H2,1-4H3/b13-9-,14-10-,15-11-,16-12-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,49-45-,50-46-,51-47-,52-48-,61-57+,62-58+,63-59+,64-60+/t94-,101-/m1/s1

InChIKey

FQXNZVSAPPSYPT-QTXBAKCGSA-N

Compound name

[(2R,3R)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis[[(5E,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy]phenyl]-3,4-dihydro-2H-chromen-3-yl] 4-hydroxy-3,5-bis[[(5E,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy]benzoate

Related CIDs

• CID 86573431