Cas no 2871-28-5 (Caracurine VII; Na,O-Di-Ac)

Caracurine VII; Na,O-Di-Ac structure
Caracurine VII; Na,O-Di-Ac structure
Product Name:Caracurine VII; Na,O-Di-Ac
CAS No:2871-28-5
MF:C23H26N2O4
MW:394.463546276093
CID:280677
Update Time:2024-02-29

Caracurine VII; Na,O-Di-Ac Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[(17S)-17-(acetyloxy)-19,20-didehydro-17,18-epoxycuran-1-yl]-
    • henningsamine, O-acetyldiaboline A
    • Curan-17-ol,1-acetyl-19,20-didehydro-17,18-epoxy-, acetate (ester), (17S)- (9CI)
    • Diaboline acetate
    • Henningsamine(7CI,8CI)
    • O-Acetyldiaboline A
    • Henningsamine
    • CID 101286227
    • (17S)-1-Acetyl-19,20-didehydro-17,18-epoxycuran-17-ol acetate
    • Caracurine VII; Na,O-Di-Ac
    • Inchi： 1S/C23H26N2O4/c1-13(26)25-18-6-4-3-5-17(18)23-8-9-24-12-15-7-10-28-22(29-14(2)27)20(21(23)25)16(15)11-19(23)24/h3-7,16,19-22H,8-12H2,1-2H3/t16-,19-,20+,21-,22-,23?/m0/s1
    • InChI Key： ZRBMSORDEMTJNR-PDCDEOOLSA-N
    • SMILES： O1CC=C2CN3CCC45C6C=CC=CC=6N(C(C)=O)[C@H]4[C@H]([C@@H]1OC(C)=O)[C@H]2C[C@H]35

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 781
  • Topological Polar Surface Area: 59.1

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