Arnidiol

Base Information

• Chemical Name: Arnidiol
• CAS No.: 6750-30-7
• Molecular Formula: C30H50O2
• Molecular Weight: 442.7168
• UNII: B94L6R1Z6C
• DSSTox Substance ID: DTXSID50986880
• Nikkaji Number: J20.238J
• Wikipedia: Arnidiol
• Wikidata: Q27274529

Synonyms:Arnidiol;Arnidenediol;6750-30-7;UNII-B94L6R1Z6C;3beta,16beta-Dihydroxytaraxene;B94L6R1Z6C;(3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylene-docosahydro-picene-3,8-diol;(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol;Urs-20(30)-ene-3,16-diol, (3.beta.,16.beta.,18.alpha.,19.alpha.)-;DTXSID50986880;CHEBI:191977;HY-N4165;AC-34790;MS-27969;3.BETA.,16.BETA.-DIHYDROXYTARAXENE;CS-0032290;18alpha,19betaH-URS-20(30)-ENE-3beta,12-DIOL;Q27274529;18.ALPHA.,19.BETA.H-URS-20(30)-ENE-3.BETA.,12-DIOL;Urs-20(30)-ene-3,16-diol, (3beta,16beta,18alpha,19alpha)-

Chemical Property of Arnidiol

Chemical Property:

• Vapor Pressure: 6.61E-13mmHg at 25°C
• Melting Point: 232 - 242 °C (ethanol)
• Boiling Point: 518.2°Cat760mmHg
• Flash Point: 208.8°C
• PSA: 40.46000
• Density: 1.05g/cm³
• LogP: 6.99560
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 442.381080833
• Heavy Atom Count: 32
• Complexity: 801

Purity/Quality:

90% ^*data from raw suppliers

Ainidiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CCC1=C)C)O)C)C)(C)C)O)C
• Isomeric SMILES: C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CCC1=C)C)O)C)C)(C)C)O)C
• General Description: Arnidiol is a pentacyclic triterpenoid compound characterized by the presence of a taraxastene skeleton with hydroxyl groups at the 3β and 16β positions. It is structurally related to ursane-type triterpenes, specifically as an 18α,19βH-urs-20(30)-ene derivative. ARNIDIOL exhibits potential biological activity due to its triterpenoid framework, which is often associated with anti-inflammatory, antioxidant, or cytotoxic properties, though specific mechanistic or pharmacological details would require further investigation. Its systematic name reflects its complex polycyclic structure, including multiple methyl groups and a methylene substituent.

Technology Process of Arnidiol

There total 4 articles about Arnidiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

taraxast-20(30)-ene-3β,16β-diol-3-O-palmitate → arnidiol (6750-30-7)

Guidance literature:

With methanol; potassium hydroxide; at 50 ℃; for 12h;

DOI:10.2298/JSC210730087T

Reference yield:

Faradiol-diacetat (42482-72-4) → arnidiol (6750-30-7)

Guidance literature:

Multi-step reaction with 3 steps

1: SeO₂, AcOH / Heating

2: (i) N₂H₄, KOH, (ii) (acetylation)

3: (saponification)

With selenium(IV) oxide; acetic acid;

Reference yield:

Arnidiol-diacetat (42482-71-3) → arnidiol (6750-30-7)

Guidance literature:

(saponification);

upstream raw materials:

Arnidiol-diacetat

Faradiol-diacetat

(3β,16β,18α,19α,21α)-30-oxours-20-ene-3,16-diyl diacetate

Refernces

10.1002/hlca.19430260226

The study investigates the chemical properties and separation of two phytosterols, Faradiol and Arnidiol, initially isolated from the flowers of Arnica montana and Tussilago farfara, respectively. Both compounds contain a reducible double bond and secondary hydroxyl groups. The study also examines their derivatives, such as diacetates and diketones, and explores the isomerization of Faradiol-diacetate with formic acid. The research aims to characterize these compounds more precisely and understand their behavior under different chemical treatments. Additionally, the study includes an investigation into the presence of triterpenes in various parts of the sunflower (Helianthus annuus), revealing that while no triterpenes were detected, all parts contained the same sterol (sitosterin-glucoside).

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