(2E,5S,6S,8E,10R,11S)-8-fluoranyl-17-(2-hydroxyethylamino)-10,11-dimethyl-5,6,15-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione

Systemtic Name: (2E,5S,6S,8E,10R,11S)-8-fluoranyl-17-(2-hydroxyethylamino)-10,11-dimethyl-5,6,15-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione Openeye Name: (2E,5S,6S,8E,10R,11S)-8-fluoro-5,6,15-trihydroxy-17-(2-hydroxyethylamino)-10,11-dimethyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione CAS Name: (2E,5S,6S,8E,10R,11S)-8-fluoro-5,6,15-trihydroxy-17-(2-hydroxyethylamino)-10,11-dimethyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione IUPAC Name: (2E,5S,6S,8E,10R,11S)-8-fluoro-5,6,15-trihydroxy-17-(2-hydroxyethylamino)-10,11-dimethyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione Traditional Name: (2E,5S,6S,8E,10R,11S)-8-fluoro-5,6,15-trihydroxy-17-(2-hydroxyethylamino)-10,11-dimethyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-quinone Formula: C21H26FNO7 MolecularWeight: 423.432043

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=O)C(C(CC=CC2=CC(=CC(=C2C(=O)OC1C)O)NCCO)O)O)F

Isomeric SMILES

C[C@@H]1/C=C(\C(=O)[C@H]([C@H](C/C=C/C2=CC(=CC(=C2C(=O)O[C@H]1C)O)NCCO)O)O)/F

InChI

InChI=1S/C21H26FNO7/c1-11-8-15(22)19(27)20(28)16(25)5-3-4-13-9-14(23-6-7-24)10-17(26)18(13)21(29)30-12(11)2/h3-4,8-12,16,20,23-26,28H,5-7H2,1-2H3/b4-3+,15-8+/t11-,12+,16+,20+/m1/s1