Cas no 32209-72-6 ([(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate)

[(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate structure
32209-72-6 structure
Product Name:[(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
CAS No:32209-72-6
MF:C29H37NO6
MW:495.607188940048
CID:308329
Update Time:2024-02-29

[(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate Chemical and Physical Properties

Names and Identifiers

    • 7,11:12,16-Dimetheno-2H-azacycloheptadecino[2,1,17-de]quinolizine-4,5,19-triol,1,3,3a,4,5,6,6a,17,18,19,20,20a-dodecahydro-10,13-dimethoxy-, 19-acetate,stereoisomer (9CI)
    • (12R)-Lythrancane-8α,9α,12-triol 12-acetate
    • Lythrancin II
    • Lythrancine, 12-acetate
    • LythrancineII (8CI)
    • Lythrancine II
    • [(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]he
    • [(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
    • Inchi： 1S/C29H37NO6/c1-17(31)36-21-10-7-18-8-11-27(34-2)22(13-18)23-14-19(9-12-28(23)35-3)25-16-26(32)29(33)24-6-4-5-20(15-21)30(24)25/h8-9,11-14,20-21,24-26,29,32-33H,4-7,10,15-16H2,1-3H3/t20-,21+,24-,25+,26+,29-/m0/s1
    • InChI Key： PHZITYJHCYPBFZ-GYALGIFXSA-N
    • SMILES： O[C@@H]1[C@@H](C[C@@H]2C3C=CC(=C(C4C(=CC=C(C=4)CC[C@H](C[C@@H]4CCC[C@@H]1N42)OC(C)=O)OC)C=3)OC)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 4
  • Complexity: 749
  • Topological Polar Surface Area: 88.5

[(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate Related Literature

Related Categories

32209-72-6 ([(1R,14R,16S,20S,21S,22R)-21,22-Dihydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate) Related Products

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