[(2R,3S,4S,5S)-5-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl decanoate

Systemtic Name: [(2R,3S,4S,5S)-5-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl decanoate Openeye Name: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl decanoate CAS Name: decanoic acid [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyoxolan-2-yl]methyl decanoate Traditional Name: capric acid [(2R,3S,4S,5S)-3,4-dihydroxy-5-methylol-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H40O12 MolecularWeight: 496.5458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)OC)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O

InChI

InChI=1S/C22H40O12/c1-3-4-5-6-7-8-9-10-14(24)31-11-13-15(25)19(29)22(12-23,33-13)34-21-18(28)16(26)17(27)20(30-2)32-21/h13,15-21,23,25-29H,3-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,20-,21-,22+/m1/s1