Cas no 33957-83-4 (Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]-)

Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]- structure
33957-83-4 structure
Product Name:Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]-
CAS No:33957-83-4
MF:C27H36O11
MW:536.56814956665
CID:1460951
PubChem ID:303910
Update Time:2024-03-01

Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]- Chemical and Physical Properties

Names and Identifiers

    • (1beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-(acetyloxy)-2-methylbutanoate
    • Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]-
    • 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-(acetyloxy)-2-methylbutanoate
    • 2'-Acetylglaucarubinone
    • Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha,14beta)-
    • DTXSID30955539
    • 33957-83-4
    • Inchi： 1S/C27H36O11/c1-7-24(5,38-13(4)28)23(33)37-18-17-12(3)19(30)27(34)22-25(6)14(11(2)8-15(29)20(25)31)9-16(36-21(18)32)26(17,22)10-35-27/h8,12,14,16-20,22,30-31,34H,7,9-10H2,1-6H3
    • InChI Key： MYXSXBKEINPXNR-UHFFFAOYSA-N
    • SMILES： CCC(OC(C)=O)(C(OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C3C42C1C(C)C(O)C3(OC4)O)C)=O)C

Computed Properties

  • Exact Mass: 536.226
  • Monoisotopic Mass: 536.226
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 6
  • Complexity: 1130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 166?2

Experimental Properties

  • Density: 1.41
  • Boiling Point: 722.7°C at 760 mmHg
  • Flash Point: 238.2°C
  • Refractive Index: 1.591

Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]- Related Literature

Related Categories

33957-83-4 (Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-11,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,14β,15β(S)]-) Related Products

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