[(2S,3R,4R,5S,6S)-2-[(3R,4S,5S,6R)-6-(acetyloxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-6-methyl-5-[(2R,3R)-2-methyl-3-oxidanyl-butanoyl]oxy-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl] (11S)-11-oxidanylhexadecanoate

Systemtic Name: [(2S,3R,4R,5S,6S)-2-[(3R,4S,5S,6R)-6-(acetyloxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-6-methyl-5-[(2R,3R)-2-methyl-3-oxidanyl-butanoyl]oxy-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl] (11S)-11-oxidanylhexadecanoate Openeye Name: [(2S,3R,4R,5S,6S)-2-[(3R,4S,5S,6R)-6-(acetoxymethyl)-2,4,5-trihydroxy-tetrahydropyran-3-yl]oxy-5-[(2R,3R)-3-hydroxy-2-methyl-butanoyl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (11S)-11-hydroxyhexadecanoate CAS Name: (11S)-11-hydroxyhexadecanoic acid [(2S,3R,4R,5S,6S)-2-[[(3R,4S,5S,6R)-6-(acetyloxymethyl)-2,4,5-trihydroxy-3-oxanyl]oxy]-5-[(2R,3R)-3-hydroxy-2-methyl-1-oxobutoxy]-6-methyl-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-2-[(3R,4S,5S,6R)-6-(acetyloxymethyl)-2,4,5-trihydroxyoxan-3-yl]oxy-5-[(2R,3R)-3-hydroxy-2-methylbutanoyl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (11S)-11-hydroxyhexadecanoate Traditional Name: (11S)-11-hydroxypalmitic acid [(2S,3R,4R,5S,6S)-2-[(3R,4S,5S,6R)-6-(acetoxymethyl)-2,4,5-trihydroxy-tetrahydropyran-3-yl]oxy-5-[(2R,3R)-3-hydroxy-2-methyl-butanoyl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester Formula: C41H72O19 MolecularWeight: 868.99898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(C(C(OC2O)COC(=O)C)O)O)C)OC(=O)C(C)C(C)O)OC3C(C(C(C(O3)C)O)O)O)O

Isomeric SMILES

CCCCC[C@@H](CCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@@H]2[C@H]([C@@H]([C@H](OC2O)COC(=O)C)O)O)C)OC(=O)[C@H](C)[C@@H](C)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O

InChI

InChI=1S/C41H72O19/c1-7-8-14-17-26(44)18-15-12-10-9-11-13-16-19-28(45)57-37-36(60-40-33(50)31(48)29(46)23(4)54-40)34(58-38(51)21(2)22(3)42)24(5)55-41(37)59-35-32(49)30(47)27(56-39(35)52)20-53-25(6)43/h21-24,26-27,29-37,39-42,44,46-50,52H,7-20H2,1-6H3/t21-,22-,23+,24+,26+,27-,29+,30-,31-,32+,33-,34+,35-,36-,37-,39?,40+,41+/m1/s1