[(2R,3S,4S,5S,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-4-oxidanyl-5-phenylmethoxy-2-(2-phenylmethoxyethyl)oxan-3-yl] 2-(2-cyanophenyl)ethanoate

Systemtic Name: [(2R,3S,4S,5S,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-4-oxidanyl-5-phenylmethoxy-2-(2-phenylmethoxyethyl)oxan-3-yl] 2-(2-cyanophenyl)ethanoate Openeye Name: [(2R,3S,4S,5S,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-benzyloxy-2-(2-benzyloxyethyl)-4-hydroxy-tetrahydropyran-3-yl] 2-(2-cyanophenyl)acetate CAS Name: 2-(2-cyanophenyl)acetic acid [(2R,3S,4S,5S,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-4-hydroxy-5-phenylmethoxy-2-(2-phenylmethoxyethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5S,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-4-hydroxy-5-phenylmethoxy-2-(2-phenylmethoxyethyl)oxan-3-yl] 2-(2-cyanophenyl)acetate Traditional Name: 2-(2-cyanophenyl)acetic acid [(2R,3S,4S,5S,6S)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-5-benzoxy-2-(2-benzoxyethyl)-4-hydroxy-tetrahydropyran-3-yl] ester Formula: C40H47NO11 MolecularWeight: 717.80128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C(C(O1)OC)OC(O2)(C)C)OC3C(C(C(C(O3)CCOCC4=CC=CC=C4)OC(=O)CC5=CC=CC=C5C#N)O)OCC6=CC=CC=C6

Isomeric SMILES

C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CCOCC4=CC=CC=C4)OC(=O)CC5=CC=CC=C5C#N)O)OCC6=CC=CC=C6

InChI

InChI=1S/C40H47NO11/c1-25-33(36-37(38(44-4)47-25)52-40(2,3)51-36)50-39-35(46-24-27-15-9-6-10-16-27)32(43)34(49-31(42)21-28-17-11-12-18-29(28)22-41)30(48-39)19-20-45-23-26-13-7-5-8-14-26/h5-18,25,30,32-39,43H,19-21,23-24H2,1-4H3/t25-,30+,32-,33-,34+,35-,36+,37+,38+,39-/m0/s1