Cas no 752252-75-8 (Daphnilongeranine C; 6'-Ester with #JFB06-M)

Daphnilongeranine C; 6'-Ester with #JFB06-M structure
752252-75-8 structure
Product Name:Daphnilongeranine C; 6'-Ester with #JFB06-M
CAS No:752252-75-8
MF:C38H49NO12
MW:711.795172452927
CID:6672252
Update Time:2024-03-02

Daphnilongeranine C; 6'-Ester with #JFB06-M Chemical and Physical Properties

Names and Identifiers

    • Daphcalycinosidine C
    • Daphnilongeranine C; 6'-Ester with #JFB06-M
    • Inchi: 1S/C38H49NO12/c1-16-11-39-12-19-6-3-17-4-8-21-23(10-38(28(17)21)32(44)22(16)9-26(39)37(19,38)2)34(47)48-15-25-29(41)30(42)31(43)36(50-25)51-35-27-18(13-40)5-7-20(27)24(14-49-35)33(45)46/h5,14,16,19-23,25-27,29-31,35-36,40-43H,3-4,6-13,15H2,1-2H3,(H,45,46)
    • InChI Key: BGFSQHCTVLDZEX-UHFFFAOYSA-N
    • SMILES: CC1C2CC3N(CC4C3(C3(C5C(C(C(OCC6C(O)C(O)C(O)C(OC7C8C(CC=C8CO)C(C(=O)O)=CO7)O6)=O)C3)CCC=5CC4)C2=O)C)C1

Computed Properties

  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 51
  • XLogP3: -0.182
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