(7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoranyl-5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoranyl-5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoro-4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-7-[[(2R,3R,4R,5S,6S)-3-fluoro-4-hydroxy-5-methoxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoro-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-fluoro-4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C28H29FO12 MolecularWeight: 576.521063

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)F)O)OC

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)F)O)OC

InChI

InChI=1S/C28H29FO12/c1-10-26(39-3)25(36)20(29)27(40-10)41-14-8-28(37,15(31)9-30)7-12-17(14)24(35)19-18(22(12)33)21(32)11-5-4-6-13(38-2)16(11)23(19)34/h4-6,10,14,20,25-27,30,33,35-37H,7-9H2,1-3H3/t10-,14-,20+,25-,26+,27-,28-/m0/s1