(3R,4S,5S,6R)-2-bromanyl-3,4,5-trihexadecyl-6-methyl-oxane-3,4,5-triol

Systemtic Name: (3R,4S,5S,6R)-2-bromanyl-3,4,5-trihexadecyl-6-methyl-oxane-3,4,5-triol Openeye Name: (3R,4S,5S,6R)-2-bromo-3,4,5-trihexadecyl-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: (3R,4S,5S,6R)-2-bromo-3,4,5-trihexadecyl-6-methyloxane-3,4,5-triol IUPAC Name: (3R,4S,5S,6R)-2-bromo-3,4,5-trihexadecyl-6-methyloxane-3,4,5-triol Traditional Name: (3R,4S,5S,6R)-2-bromo-3,4,5-tricetyl-6-methyl-tetrahydropyran-3,4,5-triol Formula: C54H107BrO4 MolecularWeight: 900.32898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C(OC(C(C1(CCCCCCCCCCCCCCCC)O)(CCCCCCCCCCCCCCCC)O)Br)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@@]1([C@H](OC([C@]([C@@]1(CCCCCCCCCCCCCCCC)O)(CCCCCCCCCCCCCCCC)O)Br)C)O

InChI

InChI=1S/C54H107BrO4/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-52(56)50(4)59-51(55)53(57,48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)54(52,58)49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h50-51,56-58H,5-49H2,1-4H3/t50-,51?,52+,53+,54+/m1/s1