Thielavin B - ≥95%(LC/MS-UV) , CAS No.71950-67-9

CAS: 71950-67-9 Cat. No.: T463962 分子式: C31H34O10 分子量: 566.6 PubChem CID: 155686
注文可能
GRADE & PURITY ≥95%(LC/MS-UV)
Synonyms
Thielavin-B | 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid | Benzoic acid, 4-((2,4-dihydroxy-3,6-dimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethyl
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
T463962-1mg
受注生産 · 8~12週間

$1,303.90

$1,521.90
保存 $218.00 (14.32%)
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Why this grade

≥95%(LC/MS-UV) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

概要

Description

Natural product derived from fungal source.}

Specifications

同義語
Thielavin-B | 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid | Benzoic acid, 4-((2,4-dihydroxy-3,6-dimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethyl
仕様と純度
≥95%(LC/MS-UV)
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
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。
純度
≥95%(LC/MS-UV)
名前と識別子
カノニカル・スマイルCC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)O)C)O
IUPAC Name4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
InChIKeyUULGWGARYDGVBM-UHFFFAOYSA-N
INCHI1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)
異性体SMILES CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)O)C)O
PubChem CID 155686
分子量 566.6

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.

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
分類Depsides and depsidones
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentDepsides and depsidones
Alternative Parents p-Hydroxybenzoic acid esters  o-Hydroxybenzoic acid esters  O-methoxybenzoic acids and derivatives  Salicylic acid and derivatives  Phenol esters  p-Xylenols  Benzoic acids  Tricarboxylic acids and derivatives  p-Xylenes  Benzoyl derivatives  Anisoles  Meta cresols  Phenoxy compounds  Resorcinols  Ortho cresols  Methoxybenzenes  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  Vinylogous acids  Carboxylic acid esters  Carboxylic acids  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Depside backbone - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - O-methoxybenzoic acid or derivatives - Benzoate ester - Phenol ester - Salicylic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - P-xylenol - Xylenol - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - M-cresol - P-xylene - O-cresol - Xylene - Phenol ether - Resorcinol - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
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
溶解度 DMSO: 1mg/mL
屈折率n20D1.60 (Predicted)
沸点(°C)807.54° C at 760 mmHg (Predicted)
分子量566.600 g/mol
XLogP37.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass566.215 Da
Monoisotopic Mass566.215 Da
Topological Polar Surface Area149.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity940.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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