Cas no 125547-41-3 (Petchicine)

Petchicine structure
Petchicine structure
Product Name:Petchicine
CAS No:125547-41-3
MF:C21H24N2O4
MW:368.426265716553
CID:216964
Update Time:2024-03-01

Petchicine Chemical and Physical Properties

Names and Identifiers

    • Aspidospermidine-3-carboxylicacid, 2,3-didehydro-4,7-epoxy-20-hydroxy-, methyl ester, (4b,5a,7b,12R,19a,20S)-(9CI)
    • (-)-Petchicine
    • 1,11-Methano-1H-furo[2,3-b]pyrrolo[2,3-d]carbazole,aspidospermidine-3-carboxylic acid deriv.
    • Aspidospermidine-3-carboxylicacid, 2,3-didehydro-4,7-epoxy-20-hydroxy-, methyl ester, (4b,5a,7b,12b,19a,20S)-
    • Petchicine
    • Aspidospermidine-3-carboxylic acid, 2,3-didehydro-4,7-epoxy-20-hydroxy-, methyl ester, (4β,5α,7β,12R,19α,20S)- (9CI)
    • Inchi: 1S/C21H24N2O4/c1-11(24)21-9-12-10-23-8-7-20(19(21)23)13-5-3-4-6-14(13)22-16(20)15(17(21)27-12)18(25)26-2/h3-6,11-12,17,19,22,24H,7-10H2,1-2H3
    • InChI Key: FJFAFXAJZWYPPQ-UHFFFAOYSA-N
    • SMILES: COC(C1C2OC3CC2(C2N(C3)CCC32C=1NC1C3=CC=CC=1)C(O)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • XLogP3: 1.252
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