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· · COA & SDS available for every product · Same-day shipping on in-stock items Deoxyaconitine - ≥98% , CAS No.3175-95-9
Synonyms
Aconitane-8,13,14,15-tetrol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-benzoate,(1α,6α,14α,15α,16β)- | 3-Deoxyaconitine
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,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.
Overview Information
3-Deoxyaconitine is a diterpenoid alkaloid isolated from the root ofAconitum Carmichaeli Debx.
Specifications Synonyms
Aconitane-8, 13, 14, 15-tetrol, 20-ethyl-1, 6, 16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α, 6α, 14α, 15α, 16β)- | 3-Deoxyaconitine
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
3-Deoxyaconitine is a diterpenoid alkaloid isolated from the root of Aconitum Carmichaeli Debx.
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 0.247 HBD Count 1 Rotatable Bond 11
Names and Identifiers Pubchem Sid 488199890 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488199890 Canonical Smiles CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC IUPAC Name [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate InChIKey PHASMOUKYDUAOZ-IXLJIIPOSA-N INCHI 1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1 Isomeric SMILES CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)COC PubChem CID 21598997 Molecular Weight 629.74
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 Diterpenoids Intermediate Tree Nodes Not available Direct Parent Aconitane-type diterpenoid alkaloids Alternative Parents Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Piperidines Dicarboxylic acids and derivatives Tertiary alcohols Trialkylamines Secondary alcohols Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Aconitane-type diterpenoid alkaloid - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxide - Amine - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solubility (25°C) In vitro DMSO: 100 mg/mL (158.79 mM); Soluble in DMSO Sensitivity Light sensitive DMSO(mg / mL) Max Solubility 100 DMSO(mM) Max Solubility 158.795693460793 Water(mg / mL) Max Solubility -1 Molecular Weight 629.700 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 11 Exact Mass 629.32 Da Monoisotopic Mass 629.32 Da Topological Polar Surface Area 133.000 Ų Heavy Atom Count 45 Formal Charge 0 Complexity 1180.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 13 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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