[(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxy-propyl] (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: [(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxy-propyl] (1S,4R)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: [(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxy-propyl] (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(2S)-2-[(5Z,8Z,11Z,14Z)-1-oxoeicosa-5,8,11,14-tetraenoxy]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1S,4R)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(2S)-2-[(5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoyl]oxy-3-stearoyloxy-propyl] ester Formula: C51H84O8 MolecularWeight: 825.20786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C12CCC(C1(C)C)(C(=O)O2)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)[C@@]12CC[C@@](C1(C)C)(C(=O)O2)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C51H84O8/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(53)58-44(43-57-48(55)51-41-40-50(5,47(54)59-51)49(51,3)4)42-56-45(52)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,31,33,44H,6-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t44-,50+,51-/m0/s1