[(2r,3s,4s,5r,6s)-6-[(2s)-2,3-bis[(3r,7r,11r)-3,7,11,15-tetramethylhexadecoxy]propoxy]-5-[(2r,3s,4s,5s,6r)-6-[[(2r,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl [(2s)-2,3-bis[(3r,7r,11r)-3,7,11,15-tetramethylhexadecoxy]propyl] hydrogen phosphate

Structural Information

Molecular Formula

C₁₀₄H₂₀₅O₂₆PS

SMILES

C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)OC[C@H](COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)O)O)O)O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI

InChI=1S/C104H205O26PS/c1-72(2)33-21-37-76(9)41-25-45-80(13)49-29-53-84(17)57-61-118-66-88(120-63-59-86(19)55-31-51-82(15)47-27-43-78(11)39-23-35-74(5)6)68-122-104-101(129-103-98(111)96(109)93(106)91(127-103)70-123-102-99(112)100(130-132(115,116)117)95(108)90(65-105)126-102)97(110)94(107)92(128-104)71-125-131(113,114)124-69-89(121-64-60-87(20)56-32-52-83(16)48-28-44-79(12)40-24-36-75(7)8)67-119-62-58-85(18)54-30-50-81(14)46-26-42-77(10)38-22-34-73(3)4/h72-112H,21-71H2,1-20H3,(H,113,114)(H,115,116,117)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88+,89+,90-,91-,92-,93-,94-,95+,96+,97+,98+,99-,100+,101-,102-,103-,104+/m1/s1

InChIKey

SEUBSZJVJQBZEF-ACYPGUCRSA-N

Compound name

[(2R,3S,4S,5R,6S)-6-[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-5-[(2R,3S,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl [(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] hydrogen phosphate

Related CIDs

• CID 163075868