[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R)-4-dodecoxy-3-oxidanyl-5-[(3R)-3-oxidanyltetradecoxy]-6-phosphonooxy-oxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-5-phosphonooxy-oxan-3-yl] (Z)-octadec-11-enoate

Systemtic Name: [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R)-4-dodecoxy-3-oxidanyl-5-[(3R)-3-oxidanyltetradecoxy]-6-phosphonooxy-oxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-5-phosphonooxy-oxan-3-yl] (Z)-octadec-11-enoate Openeye Name: [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R)-4-dodecoxy-3-hydroxy-5-[(3R)-3-hydroxytetradecoxy]-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-5-phosphonooxy-tetrahydropyran-3-yl] (Z)-octadec-11-enoate CAS Name: (Z)-11-octadecenoic acid [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R)-4-dodecoxy-3-hydroxy-5-[(3R)-3-hydroxytetradecoxy]-6-phosphonooxy-2-oxanyl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-5-phosphonooxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R)-4-dodecoxy-3-hydroxy-5-[(3R)-3-hydroxytetradecoxy]-6-phosphonooxyoxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-5-phosphonooxyoxan-3-yl] (Z)-octadec-11-enoate Traditional Name: (Z)-octadec-11-enoic acid [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R)-3-hydroxy-5-[(3R)-3-hydroxytetradecoxy]-4-lauryloxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-5-phosphonooxy-tetrahydropyran-3-yl] ester Formula: C68H132O20P2 MolecularWeight: 1331.711202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1C(C(OC(C1OCCC(CCCCCCCCCCC)O)OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)OC(=O)CCCCCCCCCC=CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCO[C@H]1[C@@H]([C@H](OC([C@@H]1OCC[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)OC(=O)CCCCCCCCC/C=C\CCCCCC)O

InChI

InChI=1S/C68H132O20P2/c1-7-11-15-19-22-25-27-28-29-30-31-33-36-40-44-48-60(70)86-66-64(81-53-50-57(79-6)47-43-38-18-14-10-4)62(87-89(72,73)74)59(54-78-5)85-67(66)83-55-58-61(71)63(80-51-45-41-37-34-26-23-20-16-12-8-2)65(68(84-58)88-90(75,76)77)82-52-49-56(69)46-42-39-35-32-24-21-17-13-9-3/h25,27,56-59,61-69,71H,7-24,26,28-55H2,1-6H3,(H2,72,73,74)(H2,75,76,77)/b27-25-/t56-,57-,58-,59-,61-,62-,63+,64+,65-,66-,67-,68?/m1/s1