Chem
J-GLOBAL ID：200907090435102068   Nikkaji number：J2.100.519C

Tenuisine A

テヌイシン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： C22H24N2O5
Molecular formula furigana： C22-H24-N2-O5
Molecular weight： 396.443
InChI： InChI=1S/C22H24N2O5/c1-27-14-4-5-17-15(12-14)22-9-11-23-10-3-6-20(23)7-8-21(22,24(17)19(26)28-2)16(13-20)18(25)29-22/h3-6,12,16H,7-11,13H2,1-2H3/t16-,20-,21-,22-/m1/s1
InChI key： WIRDHJSGFBXCLT-XUFNMVPLSA-N
SMILES： COC(=O)N1c2ccc(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-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-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-methoxy-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-methoxy-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A
  • Tenuisine A
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