13-epi-12-oxo-PDA - ≥95%, ~1mg/ml in ethanol , CAS No.71606-07-0

CAS: 71606-07-0 Cat. No.: E332690 分子式: C18H28O3 分子量: 292.40
注文可能
GRADE & PURITY ≥95% ~1mg/ml in ethanol
Synonyms
4-oxo-5R-(2Z)-2-pentenyl-2-cyclopentene-1S-octanoic acid | 13-epi-12-oxo Phytodienoic Acid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
100μg
E332690-100μg
受注生産 · 8~12週間
$259.90
500μg
E332690-500μg
受注生産 · 8~12週間
$999.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%, ~1mg/ml in ethanol for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

13-epi-12-oxo Phytodienoic Acid is a thermodynamically more stable form of 12-oxo-PDA. 12-oxo-PDA is a fatty acid that is an intermediate of the biosynthesis of jasmonic acid. Research shows that when 12-oxo-PDA is treated with heat, acid, or base it forms 13-epi-12-oxo-PDA with side chains that are trans-oriented. 12-oxo-PDA is also a metabolite of the linolenic acid cascade and shown to be involved in the the conversion of linolenic acid into epi-jasmonic acid in plants.

Specifications

同義語
4-oxo-5R-(2Z)-2-pentenyl-2-cyclopentene-1S-octanoic acid | 13-epi-12-oxo Phytodienoic Acid
仕様と純度
≥95%, ~1mg/ml in ethanol
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%
名前と識別子
カノニカル・スマイル
CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O
IUPAC Name
8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
InChIKey
PMTMAFAPLCGXGK-TTXFDSJOSA-N
INCHI
1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1
異性体SMILES
CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O
分子量
292.40
Reaxy-Rn
39424109
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39424109&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Fatty Acyls
SubclassEicosanoids
Intermediate Tree Nodes Not available
Direct ParentProstaglandins and related compounds
Alternative Parents Medium-chain fatty acids  Cyclic ketones  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Prostaglandin skeleton - Medium-chain fatty acid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





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:

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

1 results found

Lot NumberCertificate Type日付商品
B2513518Certificate of AnalysisFeb 07, 2025 E332690
化学的性質と物理的性質
溶解度Soluble in water (1 mg/ml at 25° C), PBS pH 7.2 (~1 mg/ml), ethanol, DMSO (~10 mg/ml), and DMF (~20 mg/ml).
屈折率n20D~1.50
沸点(°C)78° C
分子量292.400 g/mol
XLogP34.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass292.204 Da
Monoisotopic Mass292.204 Da
Topological Polar Surface Area54.400 Ų
Heavy Atom Count21
Formal Charge0
Complexity382.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
ソリューション計算機
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