(E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-4-oxidanyl-but-2-en-1-one

Systemtic Name: (E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-4-oxidanyl-but-2-en-1-one Openeye Name: (E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-[(2S,3S,4S,5R,6S)-3,4,5-tribenzyloxy-6-methoxy-tetrahydropyran-2-yl]but-2-en-1-one CAS Name: (E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)-2-oxanyl]-2-buten-1-one IUPAC Name: (E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]but-2-en-1-one Traditional Name: (E,4S)-4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-[(2S,3S,4S,5R,6S)-3,4,5-tribenzoxy-6-methoxy-tetrahydropyran-2-yl]but-2-en-1-one Formula: C41H50O11 MolecularWeight: 718.8291

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2C(OC(O2)(C)C)C(C=CC(=O)C3C(C(C(C(O3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)C

Isomeric SMILES

CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@H](/C=C/C(=O)[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)C

InChI

InChI=1S/C41H50O11/c1-40(2)48-26-32(50-40)35-34(51-41(3,4)52-35)31(43)22-21-30(42)33-36(45-23-27-15-9-6-10-16-27)37(46-24-28-17-11-7-12-18-28)38(39(44-5)49-33)47-25-29-19-13-8-14-20-29/h6-22,31-39,43H,23-26H2,1-5H3/b22-21+/t31-,32+,33+,34+,35+,36+,37-,38+,39-/m0/s1