Cas no 13241-31-1 ((2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)

(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside structure
13241-31-1 structure
Product Name:(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
CAS No:13241-31-1
MF:C27H32O13
MW:564.535189628601
CID:1235383
PubChem ID:442454
Update Time:2025-04-20

(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • (2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
    • DTXSID90331830
    • (2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • Q27107989
    • Pinocembrin 7-rhamnosylglucoside
    • (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-phenyl-chroman-4-one
    • AC1L9CUZ
    • 13241-31-1
    • CHEBI:8222
    • Pinocembrin 7-O-neohesperidoside
    • C09828
    • Inchi： 1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
    • InChI Key： UVPBNPUZWAOBQX-AFUJZTQMSA-N
    • SMILES： O([C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@H]1[C@H](OC2C=C(C3C(C[C@@H](C4C=CC=CC=4)OC=3C=2)=O)O)O[C@H](CO)[C@H]([C@@H]1O)O

Computed Properties

  • Exact Mass: 564.184
  • Monoisotopic Mass: 564.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 6
  • Complexity: 854
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 205?2

Experimental Properties

  • Density: 1.6
  • Boiling Point: 882.1°C at 760 mmHg
  • Flash Point: 294.1°C
  • Refractive Index: 1.689

(2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Related Literature

Related Categories

13241-31-1 ((2S)-5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside) Related Products

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