Chem
J-GLOBAL ID：200907001313754401   Nikkaji number：J261.791I

Trienomycin A

トリエノマイシンA
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： C36H50N2O7
Molecular formula furigana： C36-H50-N2-O7
Molecular weight： 622.803
InChI： InChI=1S/C36H50N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39,41H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,40)/t25?,26-,31?,32?,34?/m1/s1
InChI key： WACCDLYIHBADOZ-YGKWJMBXSA-N
SMILES： COC1CC(=O)Nc2cc(O)cc(CCC=C(C)C(O)C(C)C(CC=CC=CC=C1)OC(=O)[C@@H](C)NC(=O)C1CCCCC1)c2
Systematic name  (3)：
  • 20,23-ジデヒドロ-20,23-ジデオキソ-20-ヒドロキシアンサトリエノールA11-[(R)-2-(シクロヘキシルカルボニルアミノ)プロパノアート]
  • 15,22-ジヒドロキシ-5-メトキシ-14,16-ジメチル-3-オキソ-2-アザビシクロ[18.3.1]テトラコサ-1(23),6,8,10,16,20(24),21-ヘプタエン-13-イル (2R)-2-(シクロヘキシルホルムアミド)プロパノアート
  • 15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl (2R)-2-(cyclohexylformamido)propanoate
Other name (3)：
  • Trienomycin A
  • トリエノマイシンA
  • 20,23-Didehydro-20,23-dideoxo-20-hydroxyansatrienol A 11-[(R)-2-(cyclohexylcarbonylamino)propanoate]
CAS registry number： 98873-83-7
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