Chem
J-GLOBAL ID：200907043942016825   Nikkaji number：J134.049B

Mirosamicin

ミロサマイシン
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： C37H61NO13
Molecular formula furigana： C37-H61-N-O13
Molecular weight： 727.889
InChI： InChI=1S/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26+,27?,29+,30+,31?,32+,33+,34+,35-,36+,37-/m0/s1
InChI key： WWIDEZOUVSJVHS-GGBPJERZSA-N
SMILES： CCC1OC(=O)/C=C/[C@H](C)C(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]2O[C@H]2[C@]1(O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
Systematic name  (3)：
  • 14-ヒドロキシミシナミシンI
  • (1R,2S,3R,6E,8S,9S,10S,12R,14E,16R)-9-{[(2S,3R,4S,6R)-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}-3-エチル-2-ヒドロキシ-2-({[(2R,3R,4R,5R,6R)-5-ヒドロキシ-3,4-ジメトキシ-6-メチルオキサン-2-イル]オキシ}メチル)-8,10,12-トリメチル-4,17-ジオキサビシクロ[14.1.0]ヘプタデカ-6,14-ジエン-5,13-ジオン
  • (1R,2S,3R,6E,8S,9S,10S,12R,14E,16R)-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-2-hydroxy-2-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
Other name (17)：
  • ミシナミシンII
  • 抗生物質A-11725II
  • ミシナマイシンII
  • Mirosamicin
  • AR-5-2
Show all
CAS registry number： 73684-69-2
Regulation number (1)：
  • QG8540000
KEGG COMPOUND： C15680
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