Cas no 131189-57-6 (Cornuside)

Cornuside structure
Cornuside structure
Product Name:Cornuside
CAS No:131189-57-6
MF:C24H30O14
MW:542.486608982086
MDL:MFCD21606970
CID:64100
PubChem ID:11228694
Update Time:2025-04-18

Cornuside Chemical and Physical Properties

Names and Identifiers

    • Cornuside
    • Cornuside I
    • Methyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
    • cor-nuside
    • 2H-Pyran-5-carboxylicacid, 3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-,methyl ester, (2S,3R,4S)-
    • N1926
    • Y0054
    • Comuside
    • 7-Galloylsecologanol
    • 7-O-Galloylsecologanol
    • (2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[2-(galloyloxy)ethyl]-2H-pyran-5-carboxylic acid methyl ester
    • AC-34772
    • NCGC00380868-01_C24H30O14_Methyl (2S,3R,4S)-2-(beta-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
    • CHEMBL4872792
    • AKOS030530330
    • NCGC00380868-01
    • 2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(ss-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-, methyl ester, (2S,3R,4S)-
    • 131189-57-6
    • 2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-, methyl ester, (2S,3R,4S)-
    • AS-78897
    • methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
    • methyl 3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
    • HY-N0631
    • A921256
    • CS-0009622
    • METHYL (4S,5R,6S)-5-ETHENYL-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4-[2-(3,4,5-TRIHYDROXYBENZOYLOXY)ETHYL]-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLATE
    • MDL: MFCD21606970
    • Inchi: 1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16-,18-,19+,20-,23+,24+/m1/s1
    • InChI Key: SMTKSCGLXONVGL-UPIRYGIPSA-N
    • SMILES: O([C@H]1[C@H](C=C)[C@@H](C(C(=O)OC)=CO1)CCOC(C1C=C(C(=C(C=1)O)O)O)=O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 542.16400
  • Monoisotopic Mass: 542.16355563 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 11
  • Complexity: 851
  • 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
  • Molecular Weight: 542.5
  • XLogP3: -0.2
  • Topological Polar Surface Area: 222?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.58
  • Boiling Point: 817.6°Cat760mmHg
  • Flash Point: 274.5°C
  • Refractive Index: 1.648
  • PSA: 221.90000
  • LogP: -1.00160

Cornuside Security Information

  • Storage Condition:(BD636800)

Cornuside Pricemore >>

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£67.00 2025-02-22
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