(4S,7R,8S,9S,13Z,16S)-16-[(E)-1-[2-(fluoranylmethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9,13-pentamethyl-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13Z,16S)-16-[(E)-1-[2-(fluoranylmethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9,13-pentamethyl-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,16S)-16-[(E)-2-[2-(fluoromethyl)thiazol-4-yl]-1-methyl-vinyl]-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,16S)-16-[(E)-1-[2-(fluoromethyl)-4-thiazolyl]prop-1-en-2-yl]-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,16S)-16-[(E)-1-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13Z,16S)-16-[(E)-2-[2-(fluoromethyl)thiazol-4-yl]-1-methyl-vinyl]-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C27H40FNO5S MolecularWeight: 509.673603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)CF)C)C

Isomeric SMILES

C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)CF)/C)/C

InChI

InChI=1S/C27H40FNO5S/c1-16-8-7-9-17(2)25(32)19(4)26(33)27(5,6)22(30)13-24(31)34-21(11-10-16)18(3)12-20-15-35-23(14-28)29-20/h10,12,15,17,19,21-22,25,30,32H,7-9,11,13-14H2,1-6H3/b16-10-,18-12+/t17-,19+,21-,22-,25-/m0/s1