Cas no 84638-44-8 (2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-)

2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)- structure
84638-44-8 structure
Product Name:2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-
CAS No:84638-44-8
MF:C25H32O14
MW:556.513189315796
CID:731803
PubChem ID:6440747
Update Time:2024-12-09

2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-
    • methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
    • 2H-Pyran-4-acetic acid, 2-(β-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, [2S-(2α,3E,4β)]- (ZCI)
    • 10-Hydroxyoleuropein
    • HY-N12215
    • 84638-44-8
    • CS-0895613
    • 10-hydroxyl-oleuropein
    • AKOS040734250
    • 2H-Pyran-4-acetic acid, 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-
    • Methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-hydroxyethylidene)-2-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
    • DA-69437
    • Methyl (2S,3E,4S)-4-(2-(2-(3,4-dihydroxyphenyl)ethoxy)-2-oxoethyl)-3-(2-hydroxyethylidene)-2-(((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylic acid
    • methyl (4S,5E,6S)-4-(2-(2-(3,4-dihydroxyphenyl)ethoxy)-2-oxoethyl)-5-(2-hydroxyethylidene)-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4H-pyran-3-carboxylate
    • Inchi： 1S/C25H32O14/c1-35-23(34)15-11-37-24(39-25-22(33)21(32)20(31)18(10-27)38-25)13(4-6-26)14(15)9-19(30)36-7-5-12-2-3-16(28)17(29)8-12/h2-4,8,11,14,18,20-22,24-29,31-33H,5-7,9-10H2,1H3/b13-4+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
    • InChI Key： JCWFMPVGIIRRRG-AXPMACIOSA-N
    • SMILES： C([C@@H]1C(C(=O)OC)=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)/C/1=C/CO)C(=O)OCCC1C=CC(O)=C(O)C=1

Computed Properties

  • Exact Mass: 556.179206
  • Monoisotopic Mass: 556.179206
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 12
  • Complexity: 890
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 222
  • XLogP3: -1.7

Experimental Properties

  • Density: 1.55
  • Boiling Point: 821.9°Cat760mmHg
  • Flash Point: 273.3°C
  • Refractive Index: 1.645

2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)- Related Literature

Related Categories

84638-44-8 (2H-Pyran-4-acetic acid,2-(b-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-,2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-) Related Products

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