(6E,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (E)-octadec-9-enoate

Systemtic Name: (6E,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (E)-octadec-9-enoate Openeye Name: (6E,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (E)-octadec-9-enoate CAS Name: (6E,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; (E)-9-octadecenoic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: (6E,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-octadec-9-enoate Traditional Name: (6E,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; (E)-octadec-9-enoic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C54H94O7 MolecularWeight: 855.31996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1C(C(C(C(O1)CO)O)O)O.CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1C(C(C(C(O1)CO)O)O)O.CC(=CCC/C(=C/CC/C(=C/CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)/C)/C)C

InChI

InChI=1S/C30H50.C24H44O7/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)31-24-23(29)22(28)21(27)19(18-25)30-24/h15-18,23-24H,9-14,19-22H2,1-8H3;9-10,19,21-25,27-29H,2-8,11-18H2,1H3/b27-17-,28-18+,29-23+,30-24+;10-9+