Chem
J-GLOBAL ID：200907009950885960   Nikkaji number：J147.217H

Copiamycin

コピアマイシン
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： C54H95N3O17
Molecular formula furigana： C54-H95-N3-O17
Molecular weight： 1058.358
InChI： InChI=1S/C54H95N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,17-18,20-21,31-47,51-52,58-65,70-71H,11-16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)
InChI key： DTXXAWMAXGFPJR-UHFFFAOYSA-N
SMILES： CNC(=N)NCCCC=CCCCC(C)CC(C)C1OC(=O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)CC(CC(O)CC(O)C(C)C(O)C=CC1C)OC(=O)CC(=O)O
Systematic name  (1)：
  • (+)-マロン酸水素3-[5,7,9,19,21,23,27,29,30,31-デカヒドロキシ-13-[11-[[イミノ(メチルアミノ)メチル]アミノ]-1,3-ジメチル-7-ウンデセニル]-8,12,18,22,26-ペンタメチル-15-オキソ-14,33-ジオキサビシクロ[27.3.1]トリトリアコンタ-10,16-ジエン-3-イル]
Other name (4)：
  • NSC-110326
  • Copiamycin
  • コピアマイシン
  • (+)-Malonic acid hydrogen 3-[5,7,9,19,21,23,27,29,30,31-decahydroxy-13-[11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecenyl]-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl] ester
CAS registry number： 11078-23-2
Regulation number (1)：
  • GL5300000
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