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Grindelic acid - ≥95%(LC/MS-ELSD) , CAS No.1438-57-9

CAS: 1438-57-9 Cat. No.: G463791 分子式: C20H32O3 分子量: 320.47
COA
Grindelic acid - ≥95%(LC/MS-ELSD) CAS No(1438-57-9) by Aladdin Scientific
注文可能
GRADE & PURITY ≥95%(LC/MS-ELSD)
Synonyms
SPIRO(FURAN-2(3H),1'(4'H)-NAPHTHALENE)-5-ACETIC ACID, 4,4'A,5,5',6',7',8',8'A-OCTAHYDRO-2',5,5',5',8'A-PENTAMETHYL-, (1'R,4'AS,5S,8'AS)- | 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
G463791-1mg
受注生産 · 8～12週間

$721.90

$843.90
保存 $122.00 (14.46%)
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ ウィッシュリスト ⇅ 比較リストに入れる ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造 関連ターゲット（人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 ソリューション計算機 レビュー
🧪

Why this grade

≥95%(LC/MS-ELSD) 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 plant source.}

Specifications

同義語
SPIRO(FURAN-2(3H),1'(4'H)-NAPHTHALENE)-5-ACETIC ACID, 4,4'A,5,5',6',7',8',8'A-OCTAHYDRO-2',5,5',5',8'A-PENTAMETHYL-, (1'R,4'AS,5S,8'AS)- | 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
仕様と純度
≥95%(LC/MS-ELSD)
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-ELSD)
名前と識別子
カノニカル・スマイルCC1=CCC2C(CCCC2(C13CCC(O3)(C)CC(=O)O)C)(C)C
IUPAC Name2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
InChIKeyXLWWERNKTLITEF-MVJPYGJCSA-N
INCHI1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18-,19-,20+/m0/s1
異性体SMILES CC1=CC[C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CC(=O)O)(CCCC2(C)C)C
分子量 320.47
Reaxy-Rn 1291556
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1291556&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
分類Prenol lipids
SubclassDiterpenoids
Intermediate Tree Nodes Not available
Direct ParentDiterpenoids
Alternative Parents Tetrahydrofurans  Oxacyclic compounds  Monocarboxylic acids and derivatives  Dialkyl ethers  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Diterpenoid - Grindelane diterpenoid - Tetrahydrofuran - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット（人間）
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HBL-100 (746 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
WiDr (1835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
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
引火点（°F）Not applicable
引火点（°C）Not applicable
分子量320.500 g/mol
XLogP34.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass320.235 Da
Monoisotopic Mass320.235 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity549.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
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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