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OKADAIC ACID, FREE ACID HALOCHONDRINE A

  • CAS No:78111-17-8 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-,(aR,2S,5R,6R,8S)-
    Molecular Structure

    Other Information

  • CAS Registry Number: 78111-17-8
  • Transport: UN 3462 6
  • Melting Point: 164-166 °C
  • Density: 1.28 g/cm3
  • Refractive index: 1.584
  • Safety Statements: A poison by intraperitoneal route. Questionable carcinogen. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Hazard Symbols: T: Toxic;
  • Molecular Weight: 805
  • InChI: InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35?,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1
  • Risk Statements: 23/24/25-38
  • Molecular Formula: C44H68O13