Cas no 55898-33-4 (2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)-)

2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)- structure
55898-33-4 structure
Product Name:2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)-
CAS No:55898-33-4
MF:C34H60O10
MW:628.834212303162
CID:371177
PubChem ID:3036964
Update Time:2025-04-19

2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)-
    • 2-[(2S,3R,5S,6S)-6-[(3S,4S,6R)-6-[(3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-
    • 2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3'
    • 2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahy
    • lysocellin
    • 55898-33-4
    • (6-{6-[5'-Ethyl-2'-hydroxy-5'-(1-hydroxypropyl)-2,3',4-trimethyl[2,2'-bioxolan]-5-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)ethaneperoxoic acid
    • DTXSID10971297
    • 2-[(2S,3R,5S,6S)-6-[(3S,4S,6R)-6-[(3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]ethaneperoxoic acid
    • 2-[(2S,3R,5S,6S)-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2-hydroxy-3,5-dimethyloxan-2-yl]acetic acid
    • CHEBI:212437
    • Inchi： 1S/C34H60O10/c1-11-24(29(38)22(8)28(37)23(9)30-19(5)14-18(4)25(41-30)15-27(36)43-40)31-20(6)16-32(10,42-31)34(39)21(7)17-33(13-3,44-34)26(35)12-2/h18-26,28,30-31,35,37,39-40H,11-17H2,1-10H3/t18-,19+,20+,21-,22+,23?,24+,25+,26+,28-,30+,31?,32+,33-,34-/m1/s1
    • InChI Key： QYWGMFHIXAJJEG-KAENHNMNSA-N
    • SMILES： O1[C@@](CC)([C@H](CC)O)C[C@@H](C)[C@@]1([C@]1(C)C[C@H](C)C([C@H](C([C@@H](C)[C@H](C(C)[C@@H]2[C@@H](C)C[C@@H](C)[C@H](CC(=O)OO)O2)O)=O)CC)O1)O

Computed Properties

  • Exact Mass: 628.4188
  • Monoisotopic Mass: 628.418648
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 14
  • Complexity: 991
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 152
  • XLogP3: 4.8

Experimental Properties

  • Density: 1.0683 (rough estimate)
  • Boiling Point: 586.1°C (rough estimate)
  • Flash Point: 216°C
  • Refractive Index: 1.5376 (estimate)
  • PSA: 151.98

2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)- Related Literature

Related Categories

55898-33-4 (2H-Pyran-2-acetic acid,6-[(1S,2S,3S,5R)-5-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyloctahydro-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-3,5-dimethyl-,(2S,3R,5S,6S)-) Related Products

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