Chem
J-GLOBAL ID：200907037765733570   Nikkaji number：J760.943D

Trienomycin B

トリエノマイシンB
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： C34H48N2O7
Molecular formula furigana： C34-H48-N2-O7
Molecular weight： 596.765
InChI： InChI=1S/C34H48N2O7/c1-22(2)17-31(38)35-25(5)34(41)43-30-16-11-9-7-8-10-15-29(42-6)21-32(39)36-27-18-26(19-28(37)20-27)14-12-13-23(3)33(40)24(30)4/h7-11,13,15,18-20,22,24-25,29-30,33,37,40H,12,14,16-17,21H2,1-6H3,(H,35,38)(H,36,39)/t24?,25-,29?,30?,33?/m1/s1
InChI key： JPHBJDDGVQSIGJ-NOTMLMFESA-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)CC(C)C)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-[(3-メチルブタノイル)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-(3-メチルブタンアミド)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-(3-methylbutanamido)propanoate
Other name (3)：
  • トリエノマイシンB
  • Trienomycin B
  • 20,23-Didehydro-20,23-dideoxo-20-hydroxyansatrienol A 11-[(R)-2-[(3-methylbutanoyl)amino]propanoate]
CAS registry number： 100662-01-9
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