[(2S,5S,6S)-5-methyl-1-oxidanyl-2-phenylmethoxy-6-[(1S,3R,7R,9S,10R)-10-phenylmethoxy-6-(phenylsulfonylmethyl)-9-prop-2-enyl-2,8-dioxabicyclo[5.4.0]undec-4-yn-3-yl]heptan-4-yl] ethanoate

Systemtic Name: [(2S,5S,6S)-5-methyl-1-oxidanyl-2-phenylmethoxy-6-[(1S,3R,7R,9S,10R)-10-phenylmethoxy-6-(phenylsulfonylmethyl)-9-prop-2-enyl-2,8-dioxabicyclo[5.4.0]undec-4-yn-3-yl]heptan-4-yl] ethanoate Openeye Name: [(2S,3S)-3-[(1S,3R,7R,9S,10R)-9-allyl-6-(benzenesulfonylmethyl)-10-benzyloxy-2,8-dioxabicyclo[5.4.0]undec-4-yn-3-yl]-1-[(2S)-2-benzyloxy-3-hydroxy-propyl]-2-methyl-butyl] acetate CAS Name: acetic acid [(2S,5S,6S)-6-[(1S,3R,7R,9S,10R)-6-(benzenesulfonylmethyl)-10-phenylmethoxy-9-prop-2-enyl-2,8-dioxabicyclo[5.4.0]undec-4-yn-3-yl]-1-hydroxy-5-methyl-2-phenylmethoxyheptan-4-yl] ester IUPAC Name: [(2S,5S,6S)-6-[(1S,3R,7R,9S,10R)-6-(benzenesulfonylmethyl)-10-phenylmethoxy-9-prop-2-enyl-2,8-dioxabicyclo[5.4.0]undec-4-yn-3-yl]-1-hydroxy-5-methyl-2-phenylmethoxyheptan-4-yl] acetate Traditional Name: acetic acid [(2S,3S)-3-[(1S,3R,7R,9S,10R)-9-allyl-10-benzoxy-6-(besylmethyl)-2,8-dioxabicyclo[5.4.0]undec-4-yn-3-yl]-1-[(2S)-2-benzoxy-3-hydroxy-propyl]-2-methyl-butyl] ester Formula: C43H52O9S MolecularWeight: 744.93258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C#CC(C2C(O1)CC(C(O2)CC=C)OCC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4)C(C)C(CC(CO)OCC5=CC=CC=C5)OC(=O)C

Isomeric SMILES

C[C@H]([C@@H]1C#CC([C@@H]2[C@@H](O1)C[C@H]([C@@H](O2)CC=C)OCC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4)[C@H](C)C(C[C@@H](CO)OCC5=CC=CC=C5)OC(=O)C

InChI

InChI=1S/C43H52O9S/c1-5-15-39-41(49-28-34-18-11-7-12-19-34)25-42-43(52-39)35(29-53(46,47)37-20-13-8-14-21-37)22-23-38(51-42)30(2)31(3)40(50-32(4)45)24-36(26-44)48-27-33-16-9-6-10-17-33/h5-14,16-21,30-31,35-36,38-44H,1,15,24-29H2,2-4H3/t30-,31-,35?,36-,38-,39-,40?,41+,42-,43+/m0/s1