Cas no 102042-08-0 (Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)-)

Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)- structure
102042-08-0 structure
Product Name:Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)-
CAS No:102042-08-0
MF:C34H48O8
MW:584.740131378174
CID:157318
PubChem ID:6438915
Update Time:2025-04-19

Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)- Chemical and Physical Properties

Names and Identifiers

    • Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)-
    • LogP
    • nemadectin β
    • LL-F 28249beta
    • Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-(1-methyl-1-propenyl)-, (6S,23S,25S(E))-
    • (4'S,5'S,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-4',21,24-trihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
    • 102042-08-0
    • LL-F28249 beta
    • Inchi： 1S/C34H48O8/c1-7-21(4)30-23(6)28(35)17-33(42-30)16-26-15-25(41-33)12-11-20(3)13-19(2)9-8-10-24-18-39-31-29(36)22(5)14-27(32(37)40-26)34(24,31)38/h7-11,14,19,23,25-31,35-36,38H,12-13,15-18H2,1-6H3/b9-8+,20-11+,21-7+,24-10+/t19-,23-,25+,26?,27?,28-,29+,30+,31+,33?,34+/m0/s1
    • InChI Key： WDWFRIMNWVDXGF-XFOWURONSA-N
    • SMILES： O1[C@H](/C(=C/C)/C)[C@@H](C)[C@H](CC21CC1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4[C@@H](C(C)=CC(C(=O)O1)[C@@]43O)O)O2)O |c:17,25,t:23|

Computed Properties

  • Exact Mass: 584.334918g/mol
  • Monoisotopic Mass: 584.334918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 1
  • Complexity: 1200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 584.7g/mol
  • XLogP3: 3.2
  • Topological Polar Surface Area: 115?2

Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)- Related Literature

Related Categories

102042-08-0 (Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-23-hydroxy-25-[(1E)-1-methyl-1-propen-1-yl]-,(6R,23S,25S)-) Related Products

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