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demethylxestospongine B

demethylxestospongine B structure

demethylxestospongine B 

structure
  • CAS No:

    144789-03-7

  • Formula:

    C28H50N2O3

  • Chemical Name:

    demethylxestospongine B

  • Synonyms:

    demethylxestospongin B;demethylxestospongine B;octadecahydro-2h,5h,12ah,14h-1,23:11,13-diethano[1,11]dioxacycloicosino[10,9-b:20,19-b"]dipyridin-4a(24ah)-ol;DTXSID50932408;5H,17H-1,23:11,13-Diethano-2H,14H-(1,11)dioxacycloeicosino(2,3-b:12,13-b")dipyridin-4a(24aH)-ol, octadecahydro-, (4aS-(4aR*,11R*,12aS*,16aS*,23R*,24aS*))-

demethylxestospongine B Basic Attributes

462.7082

462.382

Characteristics

45.2

6.1

1.10±0.1 g/cm3(Predicted)

595.6±50.0 °C(Predicted)

Drug Information

demethylxestospongin B

Computed Properties

Molecular Weight:462.7
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:462.38214346
Monoisotopic Mass:462.38214346
Topological Polar Surface Area:45.2
Heavy Atom Count:33
Complexity:604
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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