Chem
J-GLOBAL ID：200907037508120665   Nikkaji number：J138.421J

YO-7625

デメチルマクロシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C44H73NO17
Molecular formula furigana： C44-H73-N-O17
Molecular weight： 888.058
InChI： InChI=1S/C44H73NO17/c1-11-31-28(20-56-42-38(53)37(52)35(50)24(5)58-42)16-21(2)12-13-29(47)22(3)17-27(14-15-46)39(23(4)30(48)18-32(49)60-31)62-43-36(51)34(45(9)10)40(25(6)59-43)61-33-19-44(8,55)41(54)26(7)57-33/h12-13,15-16,22-28,30-31,33-43,48,50-55H,11,14,17-20H2,1-10H3/t22-,23+,24-,25-,26+,27+,28-,30-,31?,33+,34-,35-,36-,37-,38-,39?,40-,41+,42-,43+,44-/m1/s1
InChI key： ALZAOGATQMXJKX-BUWXWYPYSA-N
SMILES： CCC1OC(=O)C[C@@H](O)[C@H](C)C(O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C
Systematic name  (3)：
  • (-)-2′′′-O,3′′′-O-ジデメチルチロシン[抗生物質]
  • 2-[(4R,5S,6S,7R,9R,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-ジヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-16-エチル-4-ヒドロキシ-5,9,13-トリメチル-2,10-ジオキソ-15-({[(2R,3R,4R,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)-1-オキサシクロヘキサデカ-11,13-ジエン-7-イル]アセトアルデヒド
  • 2-[(4R,5S,6S,7R,9R,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Other name (6)：
  • 抗生物質YO-7625
  • デメチルマクロシン
  • Demethylmacrocin
  • YO-7625
  • Antibiotic YO-7625
Show all
CAS registry number： 79404-98-1
KEGG COMPOUND： C02400
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