Cas no 108147-17-7 (5,12-Naphthacenedione,8-acetyl-10-[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-(9CI))

5,12-Naphthacenedione,8-acetyl-10-[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-(9CI) structure
108147-17-7 structure
Product Name:5,12-Naphthacenedione,8-acetyl-10-[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-(9CI)
CAS No:108147-17-7
MF:C33H37NO12
MW:639.646390676498
CID:182781
PubChem ID:159313
Update Time:2025-04-19

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

Names and Identifiers

    • 5,12-Naphthacenedione,8-acetyl-10-[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-(9CI)
    • 5,12-Naphthacenedione,8-acetyl-10-[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin
    • 9-acetyl-4,6,9,11-tetrahydroxy-7-[[2-(2-hydroxypropyl)-4,10-dimethyl-4,6a,7,8,10,10a-hexahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione
    • barminomycin I
    • 8-acetyl-1,6,8,11-tetrahydroxy-10-{[(5z)-2-(2-hydroxypropyl)-4,10-dimethyl-4,6a,7,8,10,10a-hexahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy}-7,8,9,10-tetrahydrotetracene-5,12-dione
    • AC1L4LM9
    • AC1Q6JJ9
    • ACMC-20dczm
    • Antib
    • SN-07 Chromophore
    • Barminomycin I imine
    • Antibiotic SN-07 chromophore
    • 8-Acetyl-10-[[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin]-8-yl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-5,12-naphthacenedione
    • 108147-17-7
    • 5,12-Naphthacenedione, 8-acetyl-10-((4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano(3,4-d)-1,3,6-dioxazocin-8-yl)oxy)-7,8,9,10-tetrahydro-1,6,8,``-tetrahydroxy-
    • Inchi： 1S/C33H37NO12/c1-13(35)8-22-43-14(2)12-34-19-9-23(44-15(3)32(19)46-22)45-21-11-33(42,16(4)36)10-18-25(21)31(41)27-26(29(18)39)28(38)17-6-5-7-20(37)24(17)30(27)40/h5-7,12-15,19,21-23,32,35,37,39,41-42H,8-11H2,1-4H3/b34-12-
    • InChI Key： WFTIALXZVDZJDB-AZQCRQQHSA-N
    • SMILES： O(C1CC2C(C(C)O1)OC(CC(C)O)OC(C)C=N2)C1C2C(=C3C(C4C(=CC=CC=4C(C3=C(C=2CC(C(C)=O)(C1)O)O)=O)O)=O)O |c:18|

Computed Properties

  • Exact Mass: 639.23161
  • Monoisotopic Mass: 639.232
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 5
  • Complexity: 1210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 202?2

Experimental Properties

  • Density: 1.58
  • Boiling Point: 829.7°Cat760mmHg
  • Flash Point: 455.6°C
  • Refractive Index: 1.694
  • PSA: 201.64
  • LogP: 1.81360

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

Related Categories

108147-17-7 (5,12-Naphthacenedione,8-acetyl-10-[[4,6a,7,8,10,10a-hexahydro-2-(2-hydroxypropyl)-4,10-dimethylpyrano[3,4-d]-1,3,6-dioxazocin-8-yl]oxy]-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-(9CI)) Related Products

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