Cas no 612836-45-0 (3,22-Dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,15,21-trione; 22β-form)

3,22-Dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,15,21-trione; 22β-form structure
612836-45-0 structure
Product Name:3,22-Dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,15,21-trione; 22β-form
CAS No:612836-45-0
MF:C28H34O5
MW:450.566568851471
CID:6679697
Update Time:2024-03-02

3,22-Dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,15,21-trione; 22β-form Chemical and Physical Properties

Names and Identifiers

    • (+)-Salaquinone A
    • 3,22-Dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,15,21-trione; 22β-form
    • Inchi: 1S/C28H34O5/c1-14-11-20-26(4,24(33)22(14)31)13-21(30)28(6)19-8-7-16-15(2)23(32)18(29)12-17(16)25(19,3)9-10-27(20,28)5/h7-8,12,14,20,24,32-33H,9-11,13H2,1-6H3
    • InChI Key: HLWNXIBAWDHKMJ-UHFFFAOYSA-N
    • SMILES: CC1C(=O)C(O)C2(CC(C3(C(C2C1)(C)CCC1(C3=CC=C2C1=CC(=O)C(O)=C2C)C)C)=O)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 33
  • XLogP3: 4.316

3,22-Dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,15,21-trione; 22β-form Related Literature

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