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Hesperidin(CAS No. 520-26-3)

Hesperidin C28H34O15 (cas 520-26-3) Molecular Structure

520-26-3 Structure

Identification and Related Records

【Name】
Hesperidin
【CAS Registry number】
520-26-3
【Synonyms】
Prestwick_258
(S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Hesperetin-7-rutinoside
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,4R,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one
Ciratin
Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxymethyl]oxan-2-yl]oxy-chroman-4-one
Glucopyranoside, hesperetin-7[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)]-, .beta.-D-
4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy- R-L-mannopyranosyl)-a-D-glucopyranosyl]- oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy- 4-methoxyphenyl)-,(2S)-
Hesperetin, 7-[6-O- (6-deoxy-.alpha.-L-mannopyranosyl)]-.beta.-D-glucopyranosid e)
Hesper bitabs
Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
Hesperetin 7-O-rutinoside
3,5-Dihydroxy-4-methoxy-7-rutinosyloxyflavan-4-on
Hesperetin 7-rutinoside
Hesperidine
Hesperetin 7-rhamnoglucoside
4H-1-Benzopyran-4-one, 7-[[6-O- (6-deoxy-.alpha.-L-mannopyranosyl-.beta.-D-glucopyranosyl] oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
Hesperetin
Citrus aurantium extract(synephrine,hesperidin,bioflavonoids)
Citrus Bioflavanoid
【EINECS(EC#)】
208-288-1
【Molecular Formula】
C28H34O15 (Products with the same molecular formula)
【Molecular Weight】
610.57
【Inchi】
InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
【Canonical SMILES】
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)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(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
【MOL File】
520-26-3.mol

Chemical and Physical Properties

【Appearance】
light brown powder
【Density】
1.65 g/cm3
【Melting Point】
258-262℃
【Boiling Point】
930.1 °C at 760 mmHg
【Refractive Index】
1.695
【Flash Point】
305.5 °C
【Alpha】
-76 o (C=2,PYRIDINE)
【Solubilities】
Solubility: Soluble in pyridine, sodium hydroxide solution, soluble in dimethylformamide, slightly soluble in methanol and hot glacial acetic acid, very slightly soluble in ether, acetone, chloroform and benzene.
【Color/Form】
light brown
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:610.56056 [g/mol]
Molecular Formula:C28H34O15
XLogP3-AA:-1.1
H-Bond Donor:8
H-Bond Acceptor:15
Rotatable Bond Count:7
Tautomer Count:27
Exact Mass:610.18977
MonoIsotopic Mass:610.18977
Topological Polar Surface Area:234
Heavy Atom Count:43
Formal Charge:0
Complexity:940
Isotope Atom Count:0
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:13
Feature 3D Donor Count:8
Feature 3D Ring Count:5
Effective Rotor Count:10
Conformer Sampling RMSD:1.2
CID Conformer Count:330

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R22
【Safety Statements 】
S22;S24/25
【Safety】

Hazard Codes of Hesperidin (CAS NO.520-26-3):  Xi
The Risk Statements: 22-36/37/38
22: Harmful if swallowed 
36/37/38: Irritating to eyes, respiratory system and skin 
The Safety Statements: 22-24/25-36/37/39-27-26
22: Do not breathe dust 
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
27: Take off immediately all contaminated clothing 
24/25: Avoid contact with skin and eyes 
36/37/39: Wear suitable protective clothing, gloves and eye/face protection 
F: 3-10
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.

【Specification】

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】
Natural product food supplement.

Supplier Location

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Nanjing Bangnuo Biotechnology Co., Ltd.
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Telephone:86-25-52178272
Raw materials

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