(4Z,7S,11S,14R,15S,16R)-14-ethyl-7-[(Z)-1-fluoranyl-2-pyridin-2-yl-ethenyl]-4,12,12,16-tetramethyl-11,15-bis(oxidanyl)-1,8-dioxacyclohexadec-4-ene-9,13-dione

Systemtic Name: (4Z,7S,11S,14R,15S,16R)-14-ethyl-7-[(Z)-1-fluoranyl-2-pyridin-2-yl-ethenyl]-4,12,12,16-tetramethyl-11,15-bis(oxidanyl)-1,8-dioxacyclohexadec-4-ene-9,13-dione Openeye Name: (4Z,7S,11S,14R,15S,16R)-14-ethyl-7-[(Z)-1-fluoro-2-(2-pyridyl)vinyl]-11,15-dihydroxy-4,12,12,16-tetramethyl-1,8-dioxacyclohexadec-4-ene-9,13-dione CAS Name: (4Z,7S,11S,14R,15S,16R)-14-ethyl-7-[(Z)-1-fluoro-2-(2-pyridinyl)ethenyl]-11,15-dihydroxy-4,12,12,16-tetramethyl-1,8-dioxacyclohexadec-4-ene-9,13-dione IUPAC Name: (4Z,7S,11S,14R,15S,16R)-14-ethyl-7-[(Z)-1-fluoro-2-pyridin-2-ylethenyl]-11,15-dihydroxy-4,12,12,16-tetramethyl-1,8-dioxacyclohexadec-4-ene-9,13-dione Traditional Name: (4Z,7S,11S,14R,15S,16R)-14-ethyl-7-[(Z)-1-fluoro-2-(2-pyridyl)vinyl]-11,15-dihydroxy-4,12,12,16-tetramethyl-1,8-dioxacyclohexadec-4-ene-9,13-quinone Formula: C27H38FNO6 MolecularWeight: 491.592123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OCCC(=CCC(OC(=O)CC(C(C1=O)(C)C)O)C(=CC2=CC=CC=N2)F)C)C)O

Isomeric SMILES

CC[C@@H]1[C@@H]([C@H](OCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CC=CC=N2)/F)/C)C)O

InChI

InChI=1S/C27H38FNO6/c1-6-20-25(32)18(3)34-14-12-17(2)10-11-22(21(28)15-19-9-7-8-13-29-19)35-24(31)16-23(30)27(4,5)26(20)33/h7-10,13,15,18,20,22-23,25,30,32H,6,11-12,14,16H2,1-5H3/b17-10-,21-15-/t18-,20-,22+,23+,25-/m1/s1