(4S,7R,8S,9R,13Z)-7-but-3-ynyl-16-[(E)-1-fluoranyl-2-pyridin-2-yl-ethenyl]-5,5,9,13-tetramethyl-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9R,13Z)-7-but-3-ynyl-16-[(E)-1-fluoranyl-2-pyridin-2-yl-ethenyl]-5,5,9,13-tetramethyl-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9R,13Z)-7-but-3-ynyl-16-[(E)-1-fluoro-2-(2-pyridyl)vinyl]-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9R,13Z)-7-but-3-ynyl-16-[(E)-1-fluoro-2-(2-pyridinyl)ethenyl]-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9R,13Z)-7-but-3-ynyl-16-[(E)-1-fluoro-2-pyridin-2-ylethenyl]-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9R,13Z)-7-but-3-ynyl-16-[(E)-1-fluoro-2-(2-pyridyl)vinyl]-4,8-dihydroxy-5,5,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C30H40FNO5 MolecularWeight: 513.640703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)CCC#C)(C)C)O)C(=CC2=CC=CC=N2)F)C

Isomeric SMILES

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

InChI

InChI=1S/C30H40FNO5/c1-6-7-14-23-28(35)21(3)12-10-11-20(2)15-16-25(24(31)18-22-13-8-9-17-32-22)37-27(34)19-26(33)30(4,5)29(23)36/h1,8-9,13,15,17-18,21,23,25-26,28,33,35H,7,10-12,14,16,19H2,2-5H3/b20-15-,24-18+/t21-,23-,25?,26+,28+/m1/s1