Cas no 174158-66-8 ((5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one)

(5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one structure
174158-66-8 structure
Product Name:(5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one
CAS No:174158-66-8
MF:C37H66O7
MW:622.915752887726
CID:1367551
PubChem ID:21848333
Update Time:2025-04-20

(5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one Chemical and Physical Properties

Names and Identifiers

    • (5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one
    • (2S)-4-[(2R,11R)-2,11-dihydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one
    • Glaucanisin
    • SCHEMBL2702528
    • CHEBI:190795
    • 174158-66-8
    • Squamotacin
    • (2S)-4-[(2R,11R)-2,11-dihydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-uran-5-one
    • DTXSID00938475
    • 3-{2,11-Dihydroxy-11-[5'-(1-hydroxytridecyl)[2,2'-bioxolan]-5-yl]undecyl}-5-methylfuran-2(5H)-one
    • Inchi： 1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
    • InChI Key： GXZZLWVQYXFTJE-UHFFFAOYSA-N
    • SMILES： O1C(C(CCCCCCCCC(CC2C(=O)OC(C)C=2)O)O)CCC1C1CCC(C(CCCCCCCCCCCC)O)O1

Computed Properties

  • Exact Mass: 622.48108
  • Monoisotopic Mass: 622.48085444g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 25
  • Complexity: 801
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.7
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • PSA: 105.45

(5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one Related Literature

Related Categories

174158-66-8 ((5S)-3-[(2R,11R)-2,11-dihydroxy-11-{(2R,2'R,5'R)-5'-[(1S)-1-hydroxytridecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-5-methylfuran-2(5H)-one) Related Products

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