Phellamurin - ≥96% , CAS No.52589-11-4

CAS: 52589-11-4 Cat. No.: P696259 Molecular Weight: 518.51 PubChem CID: 193876
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Storage
Room temperature
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Size
Status
Price
Qty
5mg
P696259-5mg
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$1,074.90
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

Specifications & Purity
≥96%
Storage
Room temperature
Purity
≥96%
Names and Identifiers
Canonical SmilesCC(=CCC1=C(C=C(C2=C1OC(C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
IUPAC Name(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
InChIKeyGRDZTDZJQRPNCN-YIANMRPHSA-N
INCHI1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1
Isomeric SMILES CC(=CCC1=C(C=C(C2=C1O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
PubChem CID 193876
Molecular Weight 518.51

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassFlavonoids
SubclassFlavonoid glycosides
Intermediate Tree Nodes Flavonoid O-glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents 8-prenylated flavanones  3-hydroxyflavonoids  4'-hydroxyflavonoids  5-hydroxyflavonoids  Flavanonols  Phenolic glycosides  Hexoses  O-glycosyl compounds  Chromones  Aryl alkyl ketones  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  Oxanes  Benzene and substituted derivatives  Vinylogous acids  Secondary alcohols  Oxacyclic compounds  Acetals  Polyols  Organic oxides  Primary alcohols  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Flavonoid-7-o-glycoside - 8-prenylated flavanone - 8-prenylated flavan - Hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavanonol - 5-hydroxyflavonoid - Flavanone - Flavan - Phenolic glycoside - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - Chromane - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
External Descriptors Dihyroflavonols
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
XDH Tclin Xanthine dehydrogenase (1038 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Flash Point(°F)Not applicable
Flash Point(°C)Not applicable
Molecular Weight518.500 g/mol
XLogP32.000
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass518.179 Da
Monoisotopic Mass518.179 Da
Topological Polar Surface Area186.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity808.000
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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