Cas no 11028-61-8 ((1S,11R,12R,13R)-24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol)

(1S,11R,12R,13R)-24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol structure
11028-61-8 structure
Product Name:(1S,11R,12R,13R)-24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol
CAS No:11028-61-8
MF:C20H19NO6
MW:369.367965936661
CID:179554
Update Time:2024-03-01

(1S,11R,12R,13R)-24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol Chemical and Physical Properties

Names and Identifiers

    • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-6,7-diol,5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6R,7R,12bS)-
    • (+)-Chelamine
    • Chelamine (alkaloid)
    • Chelamine(7CI)
    • Chelidonine, 12-hydroxy-, (12a)-
    • Chelamine (10-Hydroxychelidonin)
    • (1S,11R,12R,13R)-24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetra
    • (1S,11R,12R,13R)-24-Methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol
    • Inchi: 1S/C20H19NO6/c1-21-6-12-9(2-3-13-20(12)27-8-24-13)16-17(21)10-4-14-15(26-7-25-14)5-11(10)18(22)19(16)23/h2-5,16-19,22-23H,6-8H2,1H3/t16-,17-,18-,19-/m1/s1
    • InChI Key: XELDZRKHHSSBOE-NCXUSEDFSA-N
    • SMILES: O[C@H]1[C@@H](C2C=C3C(=CC=2[C@@H]2[C@H]1C1=CC=C4C(=C1CN2C)OCO4)OCO3)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 0
  • Complexity: 591
  • Topological Polar Surface Area: 80.6
  • XLogP3: 0.0950000000000001
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