NCIMech_000631
Molecular Formula:
C55H59N5O20
InChI: InChI=1/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,63-64,69-70H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45?,52+,53+/m0/s1/f/h59-60H
InChIKey: InChIKey=SEKYYZQVIOQXGF-CEWLDAOPDP
SMILES: CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)O)C)O
Names:
NCIMech_000631
[(4R,5S,6S)-5-hydroxy-6-[2-hydroxy-3-[[4-[[2-hydroxy-7-[(2S,3S,4R,5S)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl1H-pyrrole-2-carbonyl)oxy-oxan-2-yl]oxy-8-methyl-4-oxo-chromen-3-yl]carbamoyl]-3-methyl-1H-pyrrole-2-carbonyl]amino]-8-methyl-4-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
Registries:
PubChem CID 6713188
PubChem ID 11447278
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