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Tylvalosin tartrate
泰万菌素, (2R,3R)-2,3-Dihydroxysuccinic acid - [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[4-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3,6-dideoxy-3-(dimethylamino)-α-D-glucopyranosyl]oxy} -2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-4-O-(3-methylbutanoyl)-β-D-allopyranoside (1:1), Butanedioic acid, 2,3-dihydroxy-, (2R,3R)-, compd. with (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[4-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3,6-dideoxy-3-(dimethylamino)-α-D-gl ucopyranosyl]oxy]-15-[[[6-deoxy-2,3-di-O-methyl-4-O-(3-methyl-1-oxobutyl)-β-D-allopyranosyl]oxy]methyl]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxooxacyclohexadeca-11,13-diene-7-acetaldehyde (1: 1)
CAS Number: 63428-13-7
IUPAC name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate;(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular formula: C57H93NO25
Molecular weight: 1192.340
InChI: InChI=1S/C53H87NO19.C4H6O6/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3;5-1(3(7)8)2(6)4(9)10/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3;1-2,5-6H,(H,7,8)(H,9,10)/b18-17+,28-22+;/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-;1-,2-/m11/s1
InChIKey: OLLSDNUHBJHKJS-XKORHJEPSA-N
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
EINECS: -
