Cas no 83852-59-9 (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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI))

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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI) structure
83852-59-9 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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI)
CAS No:83852-59-9
MF:C34H60O10
MW:628.834212303162
CID:723504
PubChem ID:163394
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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI) 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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI)
    • 2-[6-[6-[5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2-hydroxy-3,5-dimethyloxan-2-yl]propanoic acid
    • 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-hydroxyethyl]-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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahyd
    • ferensimycin A
    • 2-(6-{6-[5'-Ethyl-2'-hydroxy-5'-(1-hydroxyethyl)-2,3',4-trimethyl[2,2'-bioxolan]-5-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-2-hydroxy-3,5-dimethyloxan-2-yl)propanoic acid
    • 83852-59-9
    • DTXSID701003957
    • X 14889B
    • (2S)-20-De(1-hydroxypropyl)-20-(1-hydroxyethyl)-2-methyllysocellin
    • X-14889B
    • Lysocellin, 20-de(1-hydroxypropyl)-20-(1-hydroxyethyl)-2-methyl-, (2S)-
    • Antibiotic 5057A
    • Antibiotic X 14889B
    • Inchi： 1S/C34H60O10/c1-12-25(29-18(4)15-31(11,42-29)34(41)20(6)16-32(13-2,44-34)24(10)35)27(37)21(7)26(36)22(8)28-17(3)14-19(5)33(40,43-28)23(9)30(38)39/h17-26,28-29,35-36,40-41H,12-16H2,1-11H3,(H,38,39)
    • InChI Key： KBMHUXNBEGGVEI-UHFFFAOYSA-N
    • SMILES： O1C(CC)(C(C)O)CC(C)C1(C1(C)CC(C)C(C(CC)C(C(C)C(C(C)C2C(C)CC(C)C(C(C(=O)O)C)(O)O2)O)=O)O1)O

Computed Properties

  • Exact Mass: 628.418648
  • Monoisotopic Mass: 628.418648
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 12
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 16
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 163
  • XLogP3: 4.7

Experimental Properties

  • Density: 1.13
  • Boiling Point: 745.3°C at 760 mmHg
  • Flash Point: 224.2°C
  • Refractive Index: 1.507

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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI) Related Literature

Related Categories

83852-59-9 (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-hydroxyethyl]-2,3',4-trimethyl[2,2'-bifuran]-5-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]tetrahydro-2-hydroxy-a,3,5-trimethyl-, (aS,2R,3R,5S,6S)- (9CI)) Related Products

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