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· · COA & SDS available for every product · Same-day shipping on in-stock items Neosmitilbin - ≥99% , CAS No.54081-47-9
Synonyms
NEOSMITILBIN | E80770 | (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 | CHEBI:27669 | SMR001397149 | DTXSID20331828 | Neoastilbin | (2S,3S)-dihydroquercetin 3-O-alpha-L-rh
Storage
Store at 2-8°C,Protected from light,Desiccated
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Neosmitilbin is isolated from Garcinia mangostana .
Form:Solid
Specifications Synonyms
NEOSMITILBIN | E80770 | (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 | CHEBI:27669 | SMR001397149 | DTXSID20331828 | Neoastilbin | (2S, 3S)-dihydroquercetin 3-O-alpha-L-rh
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Neosmitilbin isxa0isolated from Garciniaxa0mangostana .
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers 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 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 InChIKey ZROGCCBNZBKLEL-MFSALPCASA-N 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 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 Alternate CAS 54081-47-9 MeSH Entry Terms neoastilbin Molecular Weight 450.39 Reaxy-Rn 25248269 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25248269&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Flavonoids Subclass Flavonoid glycosides Intermediate Tree Nodes Flavonoid O-glycosides Direct Parent Flavonoid-3-O-glycosides Alternative Parents 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanonols Hexoses Chromones O-glycosyl compounds Catechols Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Vinylogous acids Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Flavonoid-3-o-glycoside - Hydroxyflavonoid - Flavanonol - Flavanone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Flavan - Hexose monosaccharide - Chromone - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Chromane - Aryl alkyl ketone - Aryl ketone - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Secondary alcohol - Ketone - Ether - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. External Descriptors Dihyroflavonols Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 450.400 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 3 Exact Mass 450.116 Da Monoisotopic Mass 450.116 Da Topological Polar Surface Area 186.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 676.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 7 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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