phenacyl (3R)-3-[[(2R,3R,4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-8-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]decanoate

Systemtic Name: phenacyl (3R)-3-[[(2R,3R,4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-8-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]decanoate Openeye Name: phenacyl (3R)-3-[[(2R,3R,4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-8-[(2S,3R,4R,5S,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]decanoate CAS Name: (3R)-3-[[(2R,3R,4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-8-[[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]decanoic acid phenacyl ester IUPAC Name: phenacyl (3R)-3-[[(2R,3R,4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-8-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]decanoate Traditional Name: (3R)-3-[[(2R,3R,4aS,5S,7R,8R,8aR)-2,3-dimethoxy-2,3,5-trimethyl-8-[(2S,3R,4R,5S,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-7-yl]oxy]capric acid phenacyl ester Formula: C57H74O14 MolecularWeight: 983.18906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(=O)OCC(=O)C1=CC=CC=C1)OC2C(C3C(C(O2)C)OC(C(O3)(C)OC)(C)OC)OC4C(C(C(C(O4)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CCCCCCC[C@H](CC(=O)OCC(=O)C1=CC=CC=C1)O[C@H]2[C@@H]([C@H]3[C@H]([C@@H](O2)C)O[C@@]([C@](O3)(C)OC)(C)OC)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C57H74O14/c1-8-9-10-11-24-33-45(34-47(59)62-38-46(58)44-31-22-15-23-32-44)68-55-53(51-49(40(3)67-55)70-56(4,60-6)57(5,61-7)71-51)69-54-52(65-37-43-29-20-14-21-30-43)50(64-36-42-27-18-13-19-28-42)48(39(2)66-54)63-35-41-25-16-12-17-26-41/h12-23,25-32,39-40,45,48-55H,8-11,24,33-38H2,1-7H3/t39-,40-,45+,48-,49-,50+,51+,52+,53+,54-,55-,56+,57+/m0/s1