Cas no 70993-77-0 (Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI))

Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI) structure
70993-77-0 structure
Product Name:Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI)
CAS No:70993-77-0
MF:C27H34O11
MW:534.552269458771
CID:572312
PubChem ID:5281311
Update Time:2025-04-19

Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI)
    • Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[(2-methyl-1-oxo-2-butenyl)oxy]-, [1.β.,6.α.(E),11.β.,12.α.,15.β.]-
    • Undulatone
    • CHEMBL554759
    • Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-, (1beta,6alpha,11beta,12alpha,15beta)-
    • C08787
    • [(1S,4R,5R,6R,7S,8R,11S,12R,13S,17S,18S,19R)-8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] (E)-2-methylbut-2-enoate
    • 70993-77-0
    • Q27108505
    • DTXSID901102185
    • CHEBI:9876
    • NSC-267709
    • Inchi： 1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1
    • InChI Key： VKCVPDRXEYKUOZ-ZZWVBLAUSA-N
    • SMILES： O1C[C@@]23[C@H]4[C@@H]([C@H]5C(C)=CC([C@H]([C@]5(C)[C@H]2[C@@]1([C@@H]([C@H](C)[C@@H]3[C@H](C(=O)O4)OC(C)=O)O)O)O)=O)OC(/C(=C/C)/C)=O

Computed Properties

  • Exact Mass: 534.21000
  • Monoisotopic Mass: 534.210112
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 5
  • Complexity: 1170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 12
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 166
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.43
  • Boiling Point: 717.4°C at 760 mmHg
  • Flash Point: 237°C
  • Refractive Index: 1.602
  • PSA: 165.89000
  • LogP: 0.19570

Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI) Related Literature

Related Categories

70993-77-0 (Picras-3-ene-2,16-dione,15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-6-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,(1b,6a,11b,12a,15b)- (9CI)) Related Products

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