[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2R,3R)-2-octyl-3-oxidanyl-dopentacontanoate

Systemtic Name: [(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2R,3R)-2-octyl-3-oxidanyl-dopentacontanoate Openeye Name: [(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl (2R,3R)-3-hydroxy-2-octyl-dopentacontanoate CAS Name: (2R,3R)-3-hydroxy-2-octyldopentacontanoic acid [(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl ester IUPAC Name: [(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2R,3R)-3-hydroxy-2-octyldopentacontanoate Traditional Name: (2R,3R)-3-hydroxy-2-octyl-dopentacontanoic acid [(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl ester Formula: C66H130O8 MolecularWeight: 1051.7336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)C(=O)OCC1C(C(C(C(O1)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O

InChI

InChI=1S/C66H130O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h59-64,66-70,72H,3-58H2,1-2H3/t59-,60-,61+,62-,63+,64-,66-/m1/s1