(7S,9S)-7-[(4R,5R,6S)-4-azanyl-6-(fluoranylmethyl)-5-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-[(4R,5R,6S)-4-azanyl-6-(fluoranylmethyl)-5-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-[(4R,5R,6S)-4-amino-6-(fluoromethyl)-5-hydroxy-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-[[(4R,5R,6S)-4-amino-6-(fluoromethyl)-5-hydroxy-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-[(4R,5R,6S)-4-amino-6-(fluoromethyl)-5-hydroxyoxan-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-[(4R,5R,6S)-4-amino-6-(fluoromethyl)-5-hydroxy-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C27H28FNO11 MolecularWeight: 561.509723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)CF)O)N)(C(=O)CO)O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@](C[C@@H](C4=C3O)OC5C[C@H]([C@H]([C@H](O5)CF)O)N)(C(=O)CO)O)O

InChI

InChI=1S/C27H28FNO11/c1-38-13-4-2-3-10-18(13)25(35)21-20(22(10)32)23(33)11-6-27(37,16(31)9-30)7-14(19(11)26(21)36)39-17-5-12(29)24(34)15(8-28)40-17/h2-4,12,14-15,17,24,30,33-34,36-37H,5-9,29H2,1H3/t12-,14+,15-,17?,24-,27+/m1/s1