NCS
China New Chemical Substance Search
Antitumor agent-46
CAS Number: 2917547-18-1
IUPAC name: [(2R,3R)-3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-2,3-dihydrochromen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
Molecular formula: C36H40N2O11
Molecular weight: 676.7
InChI: InChI=1S/C36H40N2O11/c1-45-27-15-20(5-7-24(27)40)34-30(19-39)47-26-8-6-21(16-28(26)48-34)35-33(43)32(42)31-25(41)17-23(18-29(31)49-35)46-36(44)38-13-9-22(10-14-38)37-11-3-2-4-12-37/h5-8,15-18,22,30,33-35,39-41,43H,2-4,9-14,19H2,1H3/t30?,33-,34?,35+/m0/s1
InChIKey: WJMKIIVEYAYXPY-WUJHEHBBSA-N
SMILES: -
EINECS: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)OC(=O)N6CCC(CC6)N7CCCCC7)O)O)CO)O
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