CAS: 56124-62-0 | Valrubicin, NX81052

SKU: NX81052-1MG
CAS: 56124-62-0 | Valrubicin, NX81052

CAS: 56124-62-0 | Valrubicin, NX81052

SKU: NX81052-1MG
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Product Identifiers

Catalog # NX81052
CAS Number 56124-62-0
PubChem CID 454216
Chemical Name Valrubicin
IUPAC Name [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-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
InChI InChI=1S/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)/t14-,17-,19-,22-,27+,33-/m0/s1
InChIKey ZOCKGBMQLCSHFP-KQRAQHLDSA-N
SMILES CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O

Specification

MW 723.64
MF C34H36F3NO13
Product Notes -20¡C
Cat Number GP7911
Manufacturer Glentham Life Sciences
Country of Origin United Kingdom

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