Cas no 345640-99-5 (Acutumine; 11-Epimer, N-de-Me)

Acutumine; 11-Epimer, N-de-Me structure
Acutumine; 11-Epimer, N-de-Me structure
Product Name:Acutumine; 11-Epimer, N-de-Me
CAS No:345640-99-5
MF:C18H22ClNO6
MW:383.82338476181
CID:6650629
Update Time:2024-03-02

Acutumine; 11-Epimer, N-de-Me Chemical and Physical Properties

Names and Identifiers

    • Dauricumidine
    • Acutumidine
    • Acutumine; 11-Epimer, N-de-Me
    • Inchi: 1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3
    • InChI Key: SBALNGLYQFMKPR-UHFFFAOYSA-N
    • SMILES: COC1C(O)C2(C34C(C(OC)=C(OC)C(=O)C3)(NCC4)CC2Cl)C(=O)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • XLogP3: -0.413
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