methyl 13-[(2R,5S)-5-[(1S,3S)-3-methyl-1-oxidanyl-undecyl]oxolan-2-yl]tridecanoate

Systemtic Name: methyl 13-[(2R,5S)-5-[(1S,3S)-3-methyl-1-oxidanyl-undecyl]oxolan-2-yl]tridecanoate Openeye Name: methyl 13-[(2R,5S)-5-[(1S,3S)-1-hydroxy-3-methyl-undecyl]tetrahydrofuran-2-yl]tridecanoate CAS Name: 13-[(2R,5S)-5-[(1S,3S)-1-hydroxy-3-methylundecyl]-2-oxolanyl]tridecanoic acid methyl ester IUPAC Name: methyl 13-[(2R,5S)-5-[(1S,3S)-1-hydroxy-3-methylundecyl]oxolan-2-yl]tridecanoate Traditional Name: 13-[(2R,5S)-5-[(1S,3S)-1-hydroxy-3-methyl-undecyl]tetrahydrofuran-2-yl]tridecanoic acid methyl ester Formula: C30H58O4 MolecularWeight: 482.77912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CC(C1CCC(O1)CCCCCCCCCCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C30H58O4/c1-4-5-6-7-14-17-20-26(2)25-28(31)29-24-23-27(34-29)21-18-15-12-10-8-9-11-13-16-19-22-30(32)33-3/h26-29,31H,4-25H2,1-3H3/t26-,27+,28-,29-/m0/s1