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· · COA & SDS available for every product · Same-day shipping on in-stock items Bruceine A - ≥98%(HPLC) , CAS No.25514-31-2
Synonyms
NSC 310616 | BRUCEIN A | Picras-3-en-21-oic acid,20-epoxy-3,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)- | SCHEMBL5928607 | AKOS030526754 | NSC310616 | NSC-310616 | Dihydrobrusatol | Isobruceine A |
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
NSC 310616 | BRUCEIN A | Picras-3-en-21-oic acid, 20-epoxy-3, 11, 12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2, 16-dioxo-, methyl ester, (11.beta., 12.alpha., 15.beta.)- | SCHEMBL5928607 | AKOS030526754 | NSC310616 | NSC-310616 | Dihydrobrusatol | Isobruceine A |
Specifications & Purity
≥98%(HPLC)
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504757474 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757474 Canonical Smiles CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O IUPAC Name methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate InChIKey LPZSTPCYWWRQFU-VILODJCFSA-N INCHI 1S/C26H34O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h10,12,14,17-21,29-31H,6-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1 Isomeric SMILES CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O PubChem CID 160006 Molecular Weight 522.54
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 Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Prenol lipids Subclass Terpene lactones Intermediate Tree Nodes Not available Direct Parent Quassinoids Alternative Parents Triterpenoids Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Oxepanes Delta valerolactones Fatty acid esters Pyrans Oxanes Tetrahydrofurans Furans Methyl esters Secondary alcohols 1,2-diols Cyclic alcohols and derivatives Enols Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteropolycyclic compounds Substituents Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxepane - Cyclohexenone - Pyran - Oxane - Hydroxy acid - Fatty acyl - Methyl ester - Tetrahydrofuran - Cyclic alcohol - Furan - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Ketone - Lactone - Ether - Enol - Dialkyl ether - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Carbonyl group - Alcohol - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring. External Descriptors Not available Data sources 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water, easily soluble in methanol, ethanol, chloroform, ether and other organic solvents. Sensitivity Light sensitive Molecular Weight 522.500 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 6 Exact Mass 522.21 Da Monoisotopic Mass 522.21 Da Topological Polar Surface Area 166.000 Ų Heavy Atom Count 37 Formal Charge 0 Complexity 1100.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 10 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
Citations of This Product References 1. Kaiyue Zuo, Naiyu Liu, Peng Zhou, Yingrui Wei, Jian Lin, Xinjie Zhu. (2025) Natural Product Bruceine A from Brucea javanica(L.) Merr. as a Potential LDLR Inhibitor That Facilitates Antiviral Effect. ACS Omega, [PMID:40657109 ] [10.1021/acsomega.5c02956 ]
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