Cas no 108089-33-4 (5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI))

5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI) structure
108089-33-4 structure
Product Name:5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI)
CAS No:108089-33-4
MF:C33H39NO13
MW:657.661670923233
CID:201889
PubChem ID:130036
Update Time:2025-04-19

5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI)
    • 9-acetyl-4,6,9,11-tetrahydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione
    • barminomycin II
    • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-((octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano(3,4-d)-1,3,6-dioxazocin-8-yl)oxy)-
    • 8-Acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-((octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano(3,4-d)-1,3,6-dioxazocin-8-yl)oxy)-5,12-naphthacenedione
    • DTXSID50910620
    • 8-Acetyl-1,6,8,11-tetrahydroxy-10-{[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyloctahydro-2H-pyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy}-7,8,9,10-tetrahydrotetracene-5,12-dione
    • 108089-33-4
    • Inchi： 1S/C33H39NO13/c1-12(35)8-21-45-14(3)32(42)34-18-9-22(44-13(2)31(18)47-21)46-20-11-33(43,15(4)36)10-17-24(20)30(41)26-25(28(17)39)27(38)16-6-5-7-19(37)23(16)29(26)40/h5-7,12-14,18,20-22,31-32,34-35,37,39,41-43H,8-11H2,1-4H3
    • InChI Key： AEGZAZQDUFJYDZ-UHFFFAOYSA-N
    • SMILES： O1C(C)C2C(CC1OC1C3C(=C4C(C5C(=CC=CC=5C(C4=C(C=3CC(C(C)=O)(C1)O)O)=O)O)=O)O)NC(C(C)OC(CC(C)O)O2)O

Computed Properties

  • Exact Mass: 657.24217
  • Monoisotopic Mass: 657.242
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 5
  • Complexity: 1200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 222?2

Experimental Properties

  • Density: 1.55
  • Boiling Point: 849.2°Cat760mmHg
  • Flash Point: 467.4°C
  • Refractive Index: 1.682
  • PSA: 221.54
  • LogP: 1.54400

5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI) Related Literature

Related Categories

108089-33-4 (5,12-Naphthacenedione,8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-[[octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-(9CI)) Related Products

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