Cas no 172917-97-4 (Benzenesulfonic acid, 4-methoxy-, (4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-10-nitro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester)

Benzenesulfonic acid, 4-methoxy-, (4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-10-nitro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester structure
172917-97-4 structure
Product Name:Benzenesulfonic acid, 4-methoxy-, (4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-10-nitro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester
CAS No:172917-97-4
MF:C27H21N3O10S
MW:579.534745931625
CID:5730328
Update Time:2023-10-31

Benzenesulfonic acid, 4-methoxy-, (4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-10-nitro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 4-methoxy-, (4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-10-nitro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester
    • Inchi: 1S/C27H21N3O10S/c1-3-27(33)19-11-21-23-14(12-29(21)25(31)18(19)13-39-26(27)32)10-17-20(28-23)8-9-22(24(17)30(34)35)40-41(36,37)16-6-4-15(38-2)5-7-16/h4-11,33H,3,12-13H2,1-2H3/t27-/m0/s1
    • InChI Key: LGQYUSFCNPTDDN-MHZLTWQESA-N
    • SMILES: C1(S(OC2=CC=C3C(=C2[N+]([O-])=O)C=C2CN4C(C2=N3)=CC2[C@](CC)(O)C(=O)OCC=2C4=O)(=O)=O)=CC=C(OC)C=C1

Experimental Properties

  • Density: 1.67±0.1 g/cm3(Predicted)
  • Boiling Point: 956.1±65.0 °C(Predicted)
  • pka: 11.11±0.20(Predicted)
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