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Home> Encyclopedia > Hot Product Listed 7   > 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-4'-methoxyflavone
480-36-4 structure

7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-4'-methoxyflavone

Iupac Name:5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,
5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,
5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CAS No.:480-36-4
EINECS(EC#): 207-547-6
Molecular Weight:592.54528
Molecular Formula:C28H32O14 (isomer)
Names and Identifiers
Synonyms

linarin

Inchi
InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChkey
YFVGIJBUXMQFOF-PJOVQGMDSA-N
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Isomers Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H]
(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Properties
Appearance
white to off white powder
Density
1.62
Melting Point
258-260°C
Boiling Point
885.2 °C at 760 mmHg
Vapour
1.36E-33mmHg at 25°C
Refractive Index
1.693
Flash Point
292.2 °C
Solubility
Soluble in acetic acid
Safety and Handling
Specification

  4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)- , its cas register number is 480-36-4. It also can be called Acacetin-7-O-rutinoside ; Linarin .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:592.54528g/mol
  • Molecular Formula:C28H32O14
  • Exact Mass:592.179206
  • Monoisotopic Mass:592.179206
  • Complexity:955
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:214
  • Heavy Atom Count:42
  • Defined Atom Stereocenter Count:10
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:86-28-85377358
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
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