Cas no 288248-46-4 (Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)-)

Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)- structure
288248-46-4 structure
Product Name:Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)-
CAS No:288248-46-4
MF:C19H28O13
MW:464.417827606201
CID:239014
PubChem ID:124222270
Update Time:2025-04-19

Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)-
    • Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hex...
    • Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-
    • Phlorigidoside B
    • [ "" ]
    • FS-9719
    • methyl (1S,4aR,5R,7S,7aS)-7-acetyloxy-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
    • 288248-46-4
    • AKOS032962254
    • Inchi: 1S/C19H28O13/c1-7(21)32-18(2)4-10(22)19(27)8(15(26)28-3)6-29-17(14(18)19)31-16-13(25)12(24)11(23)9(5-20)30-16/h6,9-14,16-17,20,22-25,27H,4-5H2,1-3H3/t9-,10-,11-,12+,13-,14-,16+,17+,18+,19-/m1/s1
    • InChI Key: HTOSOQRDFDYOGW-OKJPHAGLSA-N
    • SMILES: O(C(C)=O)[C@@]1(C)C[C@H]([C@@]2(C(C(=O)OC)=CO[C@H]([C@@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O

Computed Properties

  • Exact Mass: 464.15300
  • Monoisotopic Mass: 464.15299094g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 770
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.6
  • Topological Polar Surface Area: 202?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 644.6±55.0 °C at 760 mmHg
  • Flash Point: 222.8±25.0 °C
  • PSA: 201.67000
  • LogP: -3.35020
  • Vapor Pressure: 0.0±4.3 mmHg at 25°C

Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)- Security Information

Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)- Pricemore >>

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Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)- Related Literature

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