Chem
J-GLOBAL ID：201107038910337390   Nikkaji number：J2.901.920G

Alstolucine D

アルストルシンD
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： C20H22N2O4
Molecular formula furigana： C20-H22-N2-O4
Molecular weight： 354.406
InChI： InChI=1S/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15,21,24H,6-9H2,1-2H3/t11-,12-,15-,20+/m0/s1
InChI key： LNRAHCYSFBURKI-LRDLFRDYSA-N
SMILES： COC(=O)C1=C2Nc3c(cccc3O)[C@]32CCN2C[C@H]([C@@H]1C[C@@H]32)C(=O)C
Systematic name  (3)：
  • (7R,20S)-12-ヒドロキシ-19-オキソ-2,16-ジデヒドロクラン-17-酸メチル
  • メチル (1R,11S,12S,17S)-12-アセチル-6-ヒドロキシ-8,14-ジアザペンタシクロ[9.5.2.01,9.02,7.014,17]オクタデカ-2(7),3,5,9-テトラエン-10-カルボキシラート
  • methyl (1R,11S,12S,17S)-12-acetyl-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Other name (3)：
  • (7R,20S)-12-Hydroxy-19-oxo-2,16-didehydrocuran-17-oic acid methyl ester
  • アルストルシンD
  • Alstolucine D
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