(3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-eicosahydro-picene-3,8-diol

Base Information

• Chemical Name: (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-eicosahydro-picene-3,8-diol
• CAS No.: 20554-95-4
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.726
• DSSTox Substance ID: DTXSID00942739
• Wikidata: Q105100894

Synonyms:18alpha,19betaH-urs-20-ene-3beta,16beta-diol;faradiol

Chemical Property of (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-eicosahydro-picene-3,8-diol

Chemical Property:

• Vapor Pressure: 6.9E-13mmHg at 25°C
• Melting Point: >238 °C
• Boiling Point: 517.8°Cat760mmHg
• PKA: 14.90±0.70(Predicted)
• Flash Point: 208.5°C
• PSA: 40.46000
• Density: 1.013g/cm³
• LogP: 6.99560
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 442.381080833
• Heavy Atom Count: 32
• Complexity: 814

Purity/Quality:

99% ^*data from raw suppliers

Faradiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C
• Isomeric SMILES: C[C@H]1[C@H]2[C@H]3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CC=C1C)C)O)C)C)(C)C)O)C
• Uses: Faradiol can be used as an agent to treat a malignant tumor.

Technology Process of (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-eicosahydro-picene-3,8-diol

There total 2 articles about (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-eicosahydro-picene-3,8-diol 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:

faradiol 3-O-palmitate → faradiol (20554-95-4)

Guidance literature:

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

DOI:10.2298/JSC210730087T

Reference yield:

→ ψ-Taraxasterol (20554-95-4,66394-61-4)

Guidance literature:

Red. v. Faradion V oder Taraxen VI;

Reference yield: 82.0%

faradiol (20554-95-4) + acetic anhydride (108-24-7) → Faradiol-diacetat (42482-72-4)

Guidance literature:

With pyridine; at 20 ℃; for 16h;

DOI:10.1002/cbdv.201500356

Downstream raw materials:

Faradion

Dihydrofaradiol

(16β,18α,19α)-16-hydroxyurs-20-en-3-one

Dihydrofaradion

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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