Chem
J-GLOBAL ID：200907023978154220   Nikkaji number：J2.100.520G

Tenuisine B

テヌイシン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： C23H26N2O6
Molecular formula furigana： C23-H26-N2-O6
Molecular weight： 426.469
InChI： InChI=1S/C23H26N2O6/c1-28-17-11-14-16(12-18(17)29-2)25(20(27)30-3)22-7-6-21-5-4-9-24(21)10-8-23(14,22)31-19(26)15(22)13-21/h4-5,11-12,15H,6-10,13H2,1-3H3/t15-,21-,22-,23-/m1/s1
InChI key： XHJSBLSGHVGXNI-FNOORWRPSA-N
SMILES： COC(=O)N1c2cc(OC)c(OC)cc2[C@]23CCN4CC=C[C@@]54CC[C@]12[C@H](C5)C(=O)O3
Systematic name  (3)：
  • (3aR,8aR,10S,10aR)-1-(メトキシカルボニル)-3a-ヒドロキシ-14,15-ジメトキシ-1,3a,4,5,6,8a,9,10,10a-ノナヒドロ-2,3-[1,3]ブタジエノ-8a,10a-エタノ-1,5a-ジアザジシクロペンタ[a,e]シクロオクテン-10-カルボン酸10,3a-ラクトン
  • メチル (1R,9R,10S,12R)-4,5-ジメトキシ-20-オキソ-19-オキサ-8,16-ジアザヘキサシクロ[8.8.2.29,12.01,9.02,7.012,16]ドコサ-2,4,6,13-テトラエン-8-カルボキシラート
  • methyl (1R,9R,10S,12R)-4,5-dimethoxy-20-oxo-19-oxa-8,16-diazahexacyclo[8.8.2.29,12.01,9.02,7.012,16]docosa-2,4,6,13-tetraene-8-carboxylate
Other name (3)：
  • (3aR,8aR,10S,10aR)-1-(Methoxycarbonyl)-3a-hydroxy-14,15-dimethoxy-1,3a,4,5,6,8a,9,10,10a-nonahydro-2,3-[1,3]butadieno-8a,10a-ethano-1,5a-diazadicyclopenta[a,e]cyclooctene-10-carboxylic acid 10,3a-lactone
  • テヌイシンB
  • Tenuisine B
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