[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-4-decoxy-3-oxidanyl-5-(3-oxidanylidenetetradecanoyloxy)-6-phosphonooxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-5-phosphonooxy-oxan-3-yl] (Z)-octadec-11-enoate

Systemtic Name: [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-4-decoxy-3-oxidanyl-5-(3-oxidanylidenetetradecanoyloxy)-6-phosphonooxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-5-phosphonooxy-oxan-3-yl] (Z)-octadec-11-enoate Openeye Name: [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoyloxy)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-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,6R)-4-decoxy-5-(1,3-dioxotetradecoxy)-3-hydroxy-6-phosphonooxy-2-oxanyl]methoxy]-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-5-phosphonooxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4S,5R,6R)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-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,6R)-4-decoxy-3-hydroxy-5-(3-ketotetradecanoyloxy)-6-phosphonooxy-tetrahydropyran-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-6-methylol-5-phosphonooxy-tetrahydropyran-3-yl] ester Formula: C65H122O21P2 MolecularWeight: 1301.599102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CC(=O)OC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)CO)OP(=O)(O)O)OCCC(CCCCCCC)OC)OC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)OC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC

InChI

InChI=1S/C65H122O21P2/c1-6-10-14-18-21-24-25-26-27-28-29-31-33-37-41-45-56(68)83-63-61(79-48-46-53(77-5)44-40-35-17-13-9-4)59(85-87(71,72)73)54(50-66)81-64(63)80-51-55-58(70)60(78-47-42-38-34-23-20-16-12-8-3)62(65(82-55)86-88(74,75)76)84-57(69)49-52(67)43-39-36-32-30-22-19-15-11-7-2/h24-25,53-55,58-66,70H,6-23,26-51H2,1-5H3,(H2,71,72,73)(H2,74,75,76)/b25-24-/t53-,54-,55-,58-,59-,60+,61+,62-,63-,64-,65-/m1/s1