Cas no 70051-99-9 (Deoxy-epi-narasin)

Deoxy-epi-narasin structure
Deoxy-epi-narasin structure
Product Name:Deoxy-epi-narasin
CAS No:70051-99-9
MF:C43H72O10
MW:749.02579498291
CID:567440
Update Time:2024-03-01

Deoxy-epi-narasin Chemical and Physical Properties

Names and Identifiers

    • Salinomycin,20-deoxy-4-methyl-, (4S,17R)-
    • 2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5<sup>7</sup>.3<sup>5</sup>]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]bu
    • 1,6,8-Trioxadispiro[4.1.5.3]pentadecane,salinomycin deriv.
    • 20-Deoxy-17-epinarasin
    • Deoxy-epi-narasin
    • 20-Deoxynarasin
    • DIUFDFNALWNSNW-UHFFFAOYSA-N
    • Inchi: 1S/C43H72O10/c1-12-31(35(45)28(8)34(44)29(9)36-24(4)22-25(5)37(50-36)32(13-2)39(46)47)38-26(6)23-27(7)43(51-38)18-15-17-42(53-43)21-20-40(11,52-42)33-16-19-41(48,14-3)30(10)49-33/h15,18,24-34,36-38,44,48H,12-14,16-17,19-23H2,1-11H3,(H,46,47)
    • InChI Key: DIUFDFNALWNSNW-UHFFFAOYSA-N
    • SMILES: O1C2(CC=CC3(C(C)CC(C)C(C(CC)C(C(C)C(C(C)C4C(C)CC(C)C(C(C(=O)O)CC)O4)O)=O)O3)O2)CCC1(C)C1CCC(CC)(C(C)O1)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 12
  • Complexity: 1320
  • Topological Polar Surface Area: 141
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