Chem
J-GLOBAL ID：200907026328253428   Nikkaji number：J2.100.521E

Tenuisine C

テヌイシンC
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： C22H22N2O6
Molecular formula furigana： C22-H22-N2-O6
Molecular weight： 410.426
InChI： InChI=1S/C22H22N2O6/c1-28-13-3-4-16-14(11-13)22-9-10-23-17(25)5-6-20(23)7-8-21(22,24(16)19(27)29-2)15(12-20)18(26)30-22/h3-6,11,15H,7-10,12H2,1-2H3/t15-,20-,21-,22-/m1/s1
InChI key： LWYNGDLSBSXGBG-FPHUIIFBSA-N
SMILES： COC(=O)N1c2ccc(OC)cc2[C@]23CCN4C(=O)C=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-6-オキソ-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-15,20-ジオキソ-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-15,20-dioxo-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-6-oxo-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C
  • Tenuisine C
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