Baicalin hydrate - ≥98% , CAS No.206752-33-2

CAS: 206752-33-2 Cat. No.: B168456 분자식: C21H18O11 · xH2O 분자량: 446.36 EC 번호: 633-784-3 PubChem CID: 71311447
주문 가능
GRADE & PURITY ≥98%
Synonyms
Baicalein 7-O--D-glucuronide | AS-80668 | Baicalin hydrate | (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;hydrate
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
25mg
B168456-25mg
5 재고 있음
—

US$57.90

US$68.90
저장 US$11.00 (15.97%)
100mg
B168456-100mg
3 재고 있음
—

US$142.90

US$171.90
저장 US$29.00 (16.87%)
500mg
B168456-500mg
3 재고 있음
—
US$617.90
2.5g
B168456-2.5g
1 재고 있음
—

US$1,441.90

US$1,888.90
저장 US$447.00 (23.66%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
Baicalein 7-O--D-glucuronide | AS-80668 | Baicalin hydrate | (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;hydrate
사양 및 순도
≥98%
보관 조건
Room temperature
배송
Normal
순수함
≥98%
이름과 식별자
Pubchem Sid488202224
정식 스마일C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O.O
IUPAC Name(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;hydrate
InChIKeyWLEKZZMZTPAGDD-ZSESPEEFSA-N
INCHI1S/C21H18O11.H2O/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29;/h1-7,16-19,21,23-27H,(H,28,29);1H2/t16-,17-,18+,19-,21+;/m0./s1
이성체 SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O.O
WGK 독일 3
PubChem CID 71311447
분자량 446.36

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
분류Flavonoids
SubclassFlavonoid glycosides
Intermediate Tree Nodes Flavonoid O-glycosides - Flavonoid O-glucuronides
Direct ParentFlavonoid-7-O-glucuronides
Alternative Parents Flavonoid-7-O-glycosides  Flavones  6-hydroxyflavonoids  5-hydroxyflavonoids  Phenolic glycosides  O-glucuronides  Hexoses  O-glycosyl compounds  Chromones  1-hydroxy-4-unsubstituted benzenoids  Pyranones and derivatives  Beta hydroxy acids and derivatives  Benzene and substituted derivatives  Oxanes  Heteroaromatic compounds  Vinylogous acids  Secondary alcohols  Polyols  Oxacyclic compounds  Acetals  Carboxylic acids  Monocarboxylic acids and derivatives  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Beta-hydroxy acid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Hydroxy acid - Monosaccharide - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Organoheterocyclic compound - Polyol - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate Type날짜항목
D2107075Certificate of AnalysisJan 13, 2025 B168456
D2107077Certificate of AnalysisJan 13, 2025 B168456
D2107082Certificate of AnalysisJan 13, 2025 B168456
D2107083Certificate of AnalysisJan 13, 2025 B168456
화학 및 물리적 특성
녹는점(°C)231-233 °C
분자량464.400 g/mol
XLogP3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass464.095 Da
Monoisotopic Mass464.095 Da
Topological Polar Surface Area184.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity748.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
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