[(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-methanoyl-1,4a,7-trimethyl-6-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-methanoyl-1,4a,7-trimethyl-6-[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R,2R,4aS,4bR,6S,7S,10aS)-1-formyl-1,4a,7-trimethyl-6-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-formyl-1,4a,7-trimethyl-6-[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] ester IUPAC Name: [(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-formyl-1,4a,7-trimethyl-6-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R,2R,4aS,4bR,6S,7S,10aS)-1-formyl-1,4a,7-trimethyl-6-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] ester Formula: C40H44F6O7 MolecularWeight: 750.763579

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CCC3=CC(C(CC23)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC)(C)C=C)(C)C=O)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC

Isomeric SMILES

C[C@@]12CC[C@H]([C@]([C@H]1CCC3=C[C@]([C@H](C[C@@H]23)OC(=O)[C@@](C4=CC=CC=C4)(C(F)(F)F)OC)(C)C=C)(C)C=O)OC(=O)[C@@](C5=CC=CC=C5)(C(F)(F)F)OC

InChI

InChI=1S/C40H44F6O7/c1-7-34(2)23-25-18-19-29-35(3,28(25)22-31(34)53-33(49)38(51-6,40(44,45)46)27-16-12-9-13-17-27)21-20-30(36(29,4)24-47)52-32(48)37(50-5,39(41,42)43)26-14-10-8-11-15-26/h7-17,23-24,28-31H,1,18-22H2,2-6H3/t28-,29+,30-,31+,34+,35+,36-,37+,38+/m1/s1