[2-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-1,2-bis(oxidanyl)ethyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

Systemtic Name: [2-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-1,2-bis(oxidanyl)ethyl] (9E,12E,15E)-octadeca-9,12,15-trienoate Openeye Name: [1,2-dihydroxy-2-[5-hydroxy-3-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-furyl]ethyl] (9E,12E,15E)-octadeca-9,12,15-trienoate CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid [1,2-dihydroxy-2-[5-hydroxy-3-oxo-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-furanyl]ethyl] ester IUPAC Name: [1,2-dihydroxy-2-[5-hydroxy-3-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]ethyl] (9E,12E,15E)-octadeca-9,12,15-trienoate Traditional Name: (9E,12E,15E)-octadeca-9,12,15-trienoic acid [1,2-dihydroxy-2-[5-hydroxy-3-keto-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-2-furyl]ethyl] ester Formula: C30H46O13 MolecularWeight: 614.67844

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)OC(C(C1C(=O)C(=C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC(C(C1C(=O)C(=C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O

InChI

InChI=1S/C30H46O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(32)41-28(38)25(37)26-24(36)27(29(39)42-26)43-30-23(35)22(34)21(33)19(18-31)40-30/h3-4,6-7,9-10,19,21-23,25-26,28,30-31,33-35,37-39H,2,5,8,11-18H2,1H3/b4-3+,7-6+,10-9+