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Basic Information
CAS No.: 29838-67-3
Name: TAXIFOLIN 3-O-RHAMNOSIDE
Molecular Structure:
Molecular Structure of 29838-67-3 (TAXIFOLIN 3-O-RHAMNOSIDE)
Formula: C21H22O11
Molecular Weight: 450.399
Synonyms: 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-,(2R-trans)-;Astilbin (6CI,7CI,8CI);Taxifolin 3-O-rhamnoside;Taxifolin3-rhamnoside;
EINECS: 300-009-0
Density: 1.74 g/cm3
Melting Point: 180 °C (decomp)
Boiling Point: 801.1 °C at 760 mmHg
Flash Point: 282.9 °C
Appearance: White powder
Hazard Symbols: N
Risk Codes: 50
Safety: 61
PSA: 186.37000
LogP: 0.03810
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  • Astilbin from Engelhardtia roxburghiana

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    Astilbin from Engelhardtia roxburghiana

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Chemistry

Structure of 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-,(2R,3R)- (CAS NO.29838-67-3):

Empirical Formula: C21H22O11
Molecular Weight: 450.3928g/mol
IUPAC Name: (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one 
Index of Refraction: 1.748
Molar Refractivity: 104.95 cm3
Molar Volume: 258.1 cm3
Polarizability: 41.6×10-24cm3
Surface Tension: 112.7 dyne/cm
Density: 1.74 g/cm3
Flash Point: 282.9 °C
Enthalpy of Vaporization: 122.15 kJ/mol
Boiling Point: 801.1 °C at 760 mmHg
Vapour Pressure: 4.42E-27 mmHg at 25°C 
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20+,21-/m0/s1
InChIKey: ZROGCCBNZBKLEL-MFSALPCASA-N

Specification

  4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-,(2R,3R)- , its cas register number is 29838-67-3. It also can be called (2R-trans)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one ; Isoastilbin ; Neoisoastilbin ; Astilbin .