[(2R,3R,4R,5R,6S)-2-(6-methoxy-6-oxidanylidene-hexoxy)-6-methyl-5-octadecanoyloxy-4-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5R,6S)-2-(6-methoxy-6-oxidanylidene-hexoxy)-6-methyl-5-octadecanoyloxy-4-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4R,5R,6S)-4-hydroxy-2-(6-methoxy-6-oxo-hexoxy)-6-methyl-5-octadecanoyloxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5R,6S)-4-hydroxy-2-(6-methoxy-6-oxohexoxy)-6-methyl-5-(1-oxooctadecoxy)-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-4-hydroxy-2-(6-methoxy-6-oxohexoxy)-6-methyl-5-octadecanoyloxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R,6S)-4-hydroxy-2-(6-keto-6-methoxy-hexoxy)-6-methyl-5-stearoyloxy-tetrahydropyran-3-yl] ester Formula: C38H62O9 MolecularWeight: 662.89348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(OC(C(C1O)OC(=O)C2=CC=CC=C2)OCCCCCC(=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O)OC(=O)C2=CC=CC=C2)OCCCCCC(=O)OC)C

InChI

InChI=1S/C38H62O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-33(40)46-35-30(2)45-38(44-29-24-19-23-27-32(39)43-3)36(34(35)41)47-37(42)31-25-20-18-21-26-31/h18,20-21,25-26,30,34-36,38,41H,4-17,19,22-24,27-29H2,1-3H3/t30-,34+,35-,36+,38+/m0/s1