Technical Information |
Synonym: MK 397; MK-397; MK397; Eprinex; 4'-epi-acetylamino-4'-deoxy-avermectin B1a IUPAC/Chemical Name: Avermectin B1, 4''-(acetylamino)-4''-deoxy-, (4''R)- InChi Key: WPNHOHPRXXCPRA-TVXIRPTOSA-N InChi Code: InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33, 46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15, 17-19, 25-26, 28, 30-31, 34-46, 52, 54H, 16, 20-24H2, 1-11H3, (H, 50, 51)/b13-12-, 27-15-, 33-14-/t26-, 28-, 30-, 31-, 34+, 35-, 36-, 37+, 38-, 39-, 40-, 41+, 42+, 43+, 44-, 45+, 46+, 48+, 49+/m0/s1 SMILES Code: C[CH]1/C=C\C=C/2\CO[CH]3[C]2([CH](C=C([CH]3O)C)C(=O)O[CH]4C[CH](C/C=C(\[CH]1O[CH]5C[CH]([CH]([CH](O5)C)O[CH]6C[CH]([CH]([CH](O6)C)NC(=O)C)OC)OC)/C)O[C]7(C4)C=C[CH]([CH](O7)C(C)C)C)O |