Chem
J-GLOBAL ID：200907078060023998   Nikkaji number：J360.565E

(4S)-4α-Ethyl-4,12-dihydro-4,9-dihydroxy-10-cyanomethyl-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14-dione

(4S)-4α-エチル-4,12-ジヒドロ-4,9-ジヒドロキシ-10-シアノメチル-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14-ジオン
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： C22H17N3O5
Molecular formula furigana： C22-H17-N3-O5
Molecular weight： 403.394
InChI： InChI=1S/C22H17N3O5/c1-2-22(29)15-8-17-19-11(9-25(17)20(27)14(15)10-30-21(22)28)7-13-12(5-6-23)18(26)4-3-16(13)24-19/h3-4,7-8,26,29H,2,5,9-10H2,1H3/t22-/m0/s1
InChI key： NZCYVATWWVIJLW-QFIPXVFZSA-N
SMILES： CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(O)c(CC#N)c4cc3Cn1c2=O
Systematic name  (3)：
  • (4S)-4α-エチル-4,12-ジヒドロ-4,9-ジヒドロキシ-10-シアノメチル-1H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-3,14-ジオン
  • 2-[(19S)-19-エチル-7,19-ジヒドロキシ-14,18-ジオキソ-17-オキサ-3,13-ジアザペンタシクロ[11.8.0.02,11.04,9.015,20]ヘンイコサ-1(21),2(11),3,5,7,9,15(20)-ヘプタエン-8-イル]アセトニトリル
  • 2-[(19S)-19-ethyl-7,19-dihydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-8-yl]acetonitrile
Other name (1)：
  • (4S)-4α-Ethyl-4,12-dihydro-4,9-dihydroxy-10-cyanomethyl-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14-dione
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