(11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3-(2-methylbutanoyloxy)-5-[(2S,3R,4R,5S,6R)-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxyhexadecanoic acid

Systemtic Name: (11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3-(2-methylbutanoyloxy)-5-[(2S,3R,4R,5S,6R)-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxyhexadecanoic acid Openeye Name: (11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-3-(2-methylbutanoyloxy)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxyhexadecanoic acid CAS Name: (11R)-11-[[(2R,3R,4S,5S,6R)-3-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R,5R,6S)-5-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxanyl]oxy]-4-hydroxy-6-methyl-3-(2-methyl-1-oxobutoxy)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]hexadecanoic acid IUPAC Name: (11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-3-(2-methylbutanoyloxy)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid Traditional Name: (11R)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-3-(2-methylbutanoyloxy)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxypalmitic acid Formula: C50H86O22 MolecularWeight: 1039.20464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCCCC(=O)O)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)OC(=O)C(=CC)C)O)O)O)OC(=O)C(C)CC

Isomeric SMILES

CCCCC[C@H](CCCCCCCCCC(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)OC(=O)/C(=C/C)/C)O)O)O)OC(=O)C(C)CC

InChI

InChI=1S/C50H86O22/c1-9-12-18-21-30(22-19-16-14-13-15-17-20-23-32(52)53)66-48-42(35(56)33(54)27(6)63-48)72-50-43(36(57)34(55)31(24-51)67-50)71-49-44(69-46(62)26(5)11-3)39(60)41(29(8)65-49)70-47-38(59)37(58)40(28(7)64-47)68-45(61)25(4)10-2/h10,26-31,33-44,47-51,54-60H,9,11-24H2,1-8H3,(H,52,53)/b25-10+/t26?,27-,28-,29+,30-,31-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,47+,48+,49+,50+/m1/s1