Vaccarin - 10mM in DMSO , CAS No.53452-16-7

CAS: 53452-16-7 Cat. No.: V424572 分子式: C32H38O19 分子量: 726.6 PubChem CID: 71307582
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | s9230 | 6-(2-O-alpha-L-Arabinopyranosyl
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
USA
ドイツ (EU)*
Price
Qty
1ml
V424572-1ml
2 在庫あり
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$181.90

$266.90
保存 $85.00 (31.85%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

概要

Vaccarin is a major flavonoid glycoside in Vaccariae semen, its biotransformation pathways involves methylation, hydroxylation, glycosylation and deglycosylation.

Specifications

同義語
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one | s9230 | 6-(2-O-alpha-L-Arabinopyranosyl
仕様と純度
10mM in DMSO
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子
パブケム・シド
カノニカル・スマイル
C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O
IUPAC Name
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
InChIKey
GYIKGLVKALOGDP-HLEFUGOVSA-N
INCHI
1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17+,18+,21-,22+,23+,25-,26-,27+,28+,29-,30+,31-,32+/m0/s1
異性体SMILES
C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)CO)O)O)O)O)O
PubChem CID
71307582
分子量
726.6

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.

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📊 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
分類Flavonoids
SubclassFlavonoid glycosides
Intermediate Tree Nodes Not available
Direct ParentFlavonoid O-glycosides
Alternative Parents Flavonoid C-glycosides  5-hydroxyflavonoids  7-hydroxyflavonoids  Flavones  Phenolic glycosides  Fatty acyl glycosides of mono- and disaccharides  Alkyl glycosides  C-glycosyl compounds  Chromones  Disaccharides  O-glycosyl compounds  Phenoxy compounds  Phenol ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Pyranones and derivatives  Oxanes  Heteroaromatic compounds  Vinylogous acids  Secondary alcohols  Oxacyclic compounds  Dialkyl ethers  Polyols  Acetals  Primary alcohols  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Flavonoid o-glycoside - Flavonoid-4p-o-glycoside - Flavonoid c-glycoside - Hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - C-glycosyl compound - Chromone - Disaccharide - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Pyran - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量726.600 g/mol
XLogP3-3.100
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Exact Mass726.201 Da
Monoisotopic Mass726.201 Da
Topological Polar Surface Area315.000 Ų
Heavy Atom Count51
Formal Charge0
Complexity1220.000
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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