Deoxyaconitine - 10mM in DMSO , CAS No.3175-95-9

CAS: 3175-95-9 Cat. No.: D423298 Formule: C34H47NO10 Poids moléculaire: 629.74 PubChem CID: 21598997
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Synonyms
Aconitane-​8,​13,​14,​15-​tetrol,20-​ethyl-​1,​6,​16-​trimethoxy-​4-​(methoxymethyl)​-​,8-​acetate 14-​benzoate,(1α,​6α,​14α,​15α,​16β)​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Allemagne (EU)
USA*
Price
Qty
1ml
D423298-1ml
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1 En stock

143,09€

209,91€
Enregistrer 66,82 € (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Vue d’ensemble

Information

3-Deoxyaconitine is a diterpenoid alkaloid isolated from the root ofAconitum Carmichaeli Debx.

Specifications

Synonymes
Aconitane-​8,​13,​14,​15-​tetrol,20-​ethyl-​1,​6,​16-​trimethoxy-​4-​(methoxymethyl)​-​,8-​acetate 14-​benzoate,(1α,​6α,​14α,​15α,​16β)​-
Spécifications et pureté
10mM in DMSO
Mécanismes biochimiques et physiologiques
3-Deoxyaconitine is a diterpenoid alkaloid isolated from the root of Aconitum Carmichaeli Debx.
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Propriétés du produit
ALogP0.247
Nombre de HBD1
Liaison rotative11
Noms et identifiants
Pubchem Sid528775024
Sourires canoniquesCCN1CC2(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
InChIKeyPHASMOUKYDUAOZ-IXLJIIPOSA-N
INCHI1S/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
Isomères 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
Poids moléculaire 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.

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📊 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
ClassePrenol lipids
SubclassDiterpenoids
Intermediate Tree Nodes Not available
Direct ParentAconitane-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 FrameworkAromatic 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
DMSO (mg/mL) Solubilité maximale100
DMSO (mM) Solubilité maximale158.795693460793
Eau (mg/mL) Solubilité maximale-1
Poids moléculaire629.700 g/mol
XLogP31.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass629.32 Da
Monoisotopic Mass629.32 Da
Topological Polar Surface Area133.000 Ų
Heavy Atom Count45
Formal Charge0
Complexity1180.000
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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