Cas no 152247-25-1 ((2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide)

(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide structure
152247-25-1 structure
Product Name:(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide
CAS No:152247-25-1
MF:C47H87NO9
MW:810.194996118546
CID:226855
PubChem ID:11765892
Update Time:2024-03-01

(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide Chemical and Physical Properties

Names and Identifiers

    • Docosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxy-,(2R)-
    • Docosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxy-,(
    • Docosanamide, N-[1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrienyl]-2-hydroxy-,[1S-[1R*(S*),2S*,3E,7E,9E]]-
    • Docosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrienyl]-2-hydroxy-,(2R)- (9CI)
    • Ophidiacerebroside C
    • (2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydro
    • 152247-25-1
    • DTXSID101103458
    • (2R)-N-[(1S,2R,3E,7E,9E)-1-[(beta-D-Glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxydocosanamide
    • (2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide
    • Inchi: 1S/C47H87NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-30-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-27-29-33-38(3)32-28-25-23-11-9-7-5-2/h28,31-34,39-45,47,49-54H,4-27,29-30,35-37H2,1-3H3,(H,48,55)/b32-28+,34-31+,38-33+/t39-,40+,41+,42+,43+,44-,45+,47+/m0/s1
    • InChI Key: ADGAACRDRIHEAW-VEJQDDPASA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC[C@@H]([C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)O)NC([C@@H](CCCCCCCCCCCCCCCCCCCC)O)=O

Computed Properties

  • Exact Mass: 809.63808335g/mol
  • Monoisotopic Mass: 809.63808335g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 37
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 169
  • XLogP3: 13

(2R)-2-Hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]docosanamide Related Literature

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