Abietic acid - Moligand™, ≥75% , CAS No.514-10-3

Name: Abietic acid - Moligand™, ≥75% , CAS No.514-10-3
SKU: A107217
Availability: InStock

CAS: 514-10-3 Cat. No.: A107217 Formula: C₂₀H₃₀O₂ Molecular Weight: 302.45 Beilstein Registry Number: 2221451 EC Number: 208-178-3

5 Citations COA

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Abietic acid - Moligand™, ≥75% CAS No(514-10-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥75%

Synonyms

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews

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Why this grade

Moligand™, ≥75% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Starting material for natural product synthesis. Epoxidation with MCPBA.
Abietic acid is used as a precursor in the preparation of petrochemical curing agents. It is used in the synthesis of dehydroabietic acid derivatives, that exhibit antitumor, antimycotic, and antiviral activities. It can also be used as a starting material in the total synthesis of (-)-triptolide[8] and (+)-amberketal.

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥75%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥75%

Names and Identifiers

Pubchem Sid	508813710
Canonical Smiles	CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
IUPAC Name	(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChIKey	RSWGJHLUYNHPMX-ONCXSQPRSA-N
INCHI	1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
Isomeric SMILES	CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
WGK Germany	3
RTECS	TP8580000
Molecular Weight	302.45
Beilstein	2221451
Reaxy-Rn	1915575
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915575&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

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Diterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Diterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Diterpenoids
Alternative Parents	Hydrophenanthrenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Diterpenoid - Abietane diterpenoid - Phenanthrene - Hydrophenanthrene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
External Descriptors	Abietane diterpenoids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H3 Tchem LXR-alpha (2891 Activities)

Discover Target: NR1H3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Date	Item
F2616134	Certificate of Analysis	Jun 10, 2026	A107217
F2616136	Certificate of Analysis	Jun 10, 2026	A107217
F2616137	Certificate of Analysis	Jun 10, 2026	A107217
L2519157	Certificate of Analysis	Sep 09, 2025	A107217
L2519153	Certificate of Analysis	Sep 09, 2025	A107217
L2519152	Certificate of Analysis	Sep 09, 2025	A107217
J2516296	Certificate of Analysis	Sep 06, 2025	A107217
J2516295	Certificate of Analysis	Sep 06, 2025	A107217
J2516297	Certificate of Analysis	Sep 06, 2025	A107217
G2528103	Certificate of Analysis	Jul 14, 2025	A107217
G2528102	Certificate of Analysis	Jul 14, 2025	A107217
H2514180	Certificate of Analysis	Jul 14, 2025	A107217
H2514205	Certificate of Analysis	Jul 14, 2025	A107217
H2514206	Certificate of Analysis	Jul 14, 2025	A107217
G2528101	Certificate of Analysis	Jul 14, 2025	A107217
G2507517	Certificate of Analysis	Jul 14, 2025	A107217
C2430008	Certificate of Analysis	Mar 11, 2024	A107217
C2430200	Certificate of Analysis	Mar 11, 2024	A107217
I2213221	Certificate of Analysis	Sep 11, 2021	A107217
H2308237	Certificate of Analysis	Sep 11, 2021	A107217
A2415212	Certificate of Analysis	Sep 11, 2021	A107217

Solubility	Solubility in water: Insoluble Solubility in other solvents: Soluble in diluted NaOH solution Soluble in alcohol, benzene, chloroform, acetone, ether and carbon disulfide
Sensitivity	moisture & air&Light sensitive
Specific Rotation[α]	[α]20/D −85±10°, c = 1% in ethanol
Melt Point(°C)	150-165 °C
Molecular Weight	302.500 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	302.225 Da
Monoisotopic Mass	302.225 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	542.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Abietic acid - Moligand™, ≥75% , CAS No.514-10-3

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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