97404-20-1 Purity
96%
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The molecular formula of Curromycin b is C37H53N3O9.
Curromycin b was created on April 28, 2006, and last modified on December 30, 2023.
The synonyms for Curromycin b are Triedimycin B and Curromycin B.
The molecular weight of Curromycin b is 683.8 g/mol.
The IUPAC name of Curromycin b is (4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide.
The InChI of Curromycin b is InChI=1S/C37H53N3O9/c1-23(17-13-10-11-14-18-28-22-39-27(5)49-28)31(42)35(6,7)33(44)38-20-16-12-15-19-29(41)24(2)21-30(47-9)37(46)25(3)32(43)40(8)36(37)26(4)48-34(36)45/h10-17,19,22,24-26,29-31,41-42,46H,18,20-21H2,1-9H3,(H,38,44)/b13-10+,14-11+,16-12+,19-15+,23-17+.
The InChIKey of Curromycin b is AIFNQWJNODEFQR-FHEGIQTASA-N.
The Canonical SMILES of Curromycin b is CC1C(=O)N(C2(C1(C(CC(C)C(C=CC=CCNC(=O)C(C)(C)C(C(=CC=CC=CCC3=CN=C(O3)C)C)O)O)OC)O)C(OC2=O)C)C.
Curromycin b has 10 hydrogen bond acceptor counts.