[(2R)-3-[[(5aS,6R,7R,8S,9R,9aS)-9-(2-chloranylethanoyloxy)-7-(4-oxidanylidenepentanoyloxy)-2,2,4,4-tetra(propan-2-yl)-6-triethylsilyloxy-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-8-yl]oxy-methoxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [(2R)-3-[[(5aS,6R,7R,8S,9R,9aS)-9-(2-chloranylethanoyloxy)-7-(4-oxidanylidenepentanoyloxy)-2,2,4,4-tetra(propan-2-yl)-6-triethylsilyloxy-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-8-yl]oxy-methoxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [(2R)-3-[[(5aS,6R,7R,8S,9R,9aS)-9-(2-chloroacetyl)oxy-2,2,4,4-tetraisopropyl-7-(4-oxopentanoyloxy)-6-triethylsilyloxy-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-8-yl]oxy-methoxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2R)-3-[[(5aS,6R,7R,8S,9R,9aS)-9-(2-chloro-1-oxoethoxy)-7-(1,4-dioxopentoxy)-2,2,4,4-tetra(propan-2-yl)-6-triethylsilyloxy-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-8-yl]oxy-methoxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2R)-3-[[(5aS,6R,7R,8S,9R,9aS)-9-(2-chloroacetyl)oxy-7-(4-oxopentanoyloxy)-2,2,4,4-tetra(propan-2-yl)-6-triethylsilyloxy-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-8-yl]oxy-methoxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [(2R)-3-[[(5aS,6R,7R,8S,9R,9aS)-9-(2-chloroacetyl)oxy-2,2,4,4-tetraisopropyl-7-(4-ketopentanoyloxy)-6-triethylsilyloxy-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-8-yl]oxy-methoxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C71H136ClO17PSi3 MolecularWeight: 1412.512601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OC)OC1C(C2C(C(C1OC(=O)CCC(=O)C)O[Si](CC)(CC)CC)O[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)OC(=O)CCl)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC)O[C@@H]1[C@@H]([C@H]2[C@H]([C@@H]([C@H]1OC(=O)CCC(=O)C)O[Si](CC)(CC)CC)O[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)OC(=O)CCl)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C71H136ClO17PSi3/c1-16-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-62(74)80-54-61(82-63(75)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-17-2)55-81-90(78,79-15)85-68-66(83-64(76)52-51-60(14)73)69(86-91(18-3,19-4)20-5)71-70(67(68)84-65(77)53-72)87-92(56(6)7,57(8)9)89-93(88-71,58(10)11)59(12)13/h56-59,61,66-71H,16-55H2,1-15H3/t61-,66+,67+,68+,69-,70+,71+,90?/m1/s1