Adriamycin, trifluoroacetyl-, 14-valerate

Molecular Formula: C₃₄H₃₆F₃NO₁₃

InChI: InChI=1/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14u,17?,19-,22?,27?,33-/m0/s1/f/h38H

InChIKey: InChIKey=ZOCKGBMQLCSHFP-OHWYWXDADF
SMILES: CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O

Names:
    Adriamycin, trifluoroacetyl-, 14-valerate
    AD 32
    Antibiotic AD 32
    NSC-246131
    NSC246131
    N-Trifluoroacetyladriamycin-14-valerate
    Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5, 12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3, 6-trideoxy-3-[ (trifluoroacetyl)amino]-.alpha.-L-lyxo-hexopyranosyl ]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-
    Trifluoroacetyladriamycin-14-valerate
    56124-62-0
    [2-oxo-2-[(2R,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate

Registries:
    PubChem CID 41744
    PubChem ID 136463