[(Z)-1-[(1R,2S,5S)-1-acetyloxy-3-ethanoyl-2-methoxy-7-methyl-4,6-bis(oxidanylidene)-2-(phenylcarbonyl)-9-oxa-3-azaspiro[4.4]non-7-en-8-yl]-2-methoxy-hex-3-enyl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(Z)-1-[(1R,2S,5S)-1-acetyloxy-3-ethanoyl-2-methoxy-7-methyl-4,6-bis(oxidanylidene)-2-(phenylcarbonyl)-9-oxa-3-azaspiro[4.4]non-7-en-8-yl]-2-methoxy-hex-3-enyl] (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(Z)-1-[(1R,2S,5S)-1-acetoxy-3-acetyl-2-benzoyl-2-methoxy-7-methyl-4,6-dioxo-9-oxa-3-azaspiro[4.4]non-7-en-8-yl]-2-methoxy-hex-3-enyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(Z)-1-[(1R,2S,5S)-3-acetyl-1-acetyloxy-2-benzoyl-2-methoxy-7-methyl-4,6-dioxo-9-oxa-3-azaspiro[4.4]non-7-en-8-yl]-2-methoxyhex-3-enyl] ester IUPAC Name: [(Z)-1-[(1R,2S,5S)-3-acetyl-1-acetyloxy-2-benzoyl-2-methoxy-7-methyl-4,6-dioxo-9-oxa-3-azaspiro[4.4]non-7-en-8-yl]-2-methoxyhex-3-enyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(Z)-1-[(1R,2S,5S)-1-acetoxy-3-acetyl-2-benzoyl-4,6-diketo-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-en-8-yl]-2-methoxy-hex-3-enyl] ester Formula: C37H38F3NO12 MolecularWeight: 745.69233

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C(C1=C(C(=O)C2(O1)C(C(N(C2=O)C(=O)C)(C(=O)C3=CC=CC=C3)OC)OC(=O)C)C)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC)OC

Isomeric SMILES

CC/C=C\C(C(C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](N(C2=O)C(=O)C)(C(=O)C3=CC=CC=C3)OC)OC(=O)C)C)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC)OC

InChI

InChI=1S/C37H38F3NO12/c1-8-9-20-26(48-5)28(52-33(47)35(49-6,37(38,39)40)25-18-14-11-15-19-25)27-21(2)29(44)34(53-27)31(51-23(4)43)36(50-7,41(22(3)42)32(34)46)30(45)24-16-12-10-13-17-24/h9-20,26,28,31H,8H2,1-7H3/b20-9-/t26?,28?,31-,34-,35-,36-/m1/s1