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Crassicauline A - 10mM in DMSO , CAS No.79592-91-9

Crassicauline A - 10mM in DMSO , CAS No.79592-91-9

Name: Crassicauline A - 10mM in DMSO , CAS No.79592-91-9
SKU: C426025
Availability: InStock

CAS: 79592-91-9 Cat. No.: C426025 Formule: C₃₅H₄₉NO₁₀ Poids moléculaire: 643.76 PubChem CID: 157539

COA

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Crassicauline A - 10mM in DMSO CAS No(79592-91-9) by Aladdin Scientific

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DISPONIBLE À COMMANDE

GRADE & PURITY 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble Specifications Propriétés du produit Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis

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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.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

Information

Crassicauline A, a diterpenoid alkaloid in Aconitum herbs, is an analgesic drug clinically used in China.

Specifications

Synonymes

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Crassicauline A, a diterpenoid alkaloid in Aconitum herbs, is an analgesic drug clinically used in China.

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

ALogP

0.804

Liaison rotative

Noms et identifiants

Pubchem Sid

528763943

Sourires canoniques

CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC

IUPAC Name

[8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

InChIKey

GAZDXIGXYWVWQX-UHFFFAOYSA-N

INCHI

1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3

Isomères SMILES

CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC

PubChem CID

157539

Poids moléculaire

643.76

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
  - Classe Prenol lipids
    - Subclass Diterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Classe	Prenol lipids
Subclass	Diterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aconitane-type diterpenoid alkaloids
Alternative Parents	P-methoxybenzoic acids and derivatives Benzoic acid esters Quinolidines Alkaloids and derivatives Benzoyl derivatives Anisoles Methoxybenzenes Phenoxy compounds Azepanes Alkyl aryl ethers Dicarboxylic acids and derivatives Piperidines Tertiary alcohols Amino acids and derivatives Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aconitane-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Alkaloid or derivatives - Benzoic acid or derivatives - Anisole - Methoxybenzene - Phenoxy compound - Benzoyl - Phenol ether - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Dicarboxylic acid or derivatives - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organic oxygen compound - Amine - Carbonyl group - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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
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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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 Number	Certificate Type	Date	Article
H2419637	Certificate of Analysis	Jul 13, 2026	C426025

Propriétés chimiques et physiques

Sensibilité	sensitive to light
DMSO (mg/mL) Solubilité maximale	100
DMSO (mM) Solubilité maximale	155.336364898542
Poids moléculaire	643.800 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Exact Mass	643.336 Da
Monoisotopic Mass	643.336 Da
Topological Polar Surface Area	122.000 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1190.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	13
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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