delta8(14)-Ergostenol

Base Information

• Chemical Name: delta8(14)-Ergostenol
• CAS No.: 632-32-6
• Molecular Formula: C28H48O
• Molecular Weight: 400.689
• UNII: Z3RI2342BX
• Nikkaji Number: J143.652J
• Wikidata: Q27294955
• Metabolomics Workbench ID: 34776
• Mol file: 632-32-6.mol

Synonyms:alpha-Ergostenol;delta8(14)-Ergostenol;632-32-6;alpha-Ergostenol [MI];UNII-Z3RI2342BX;NSC-224270;Z3RI2342BX;(3beta,5alpha)-Ergost-8(14)-en-3-ol;.DELTA.8(14)-Ergostenol;Ergost-8(14)-en-3beta-ol;.alpha.-Ergostenol;5.alpha.-Ergost-8(14)-en-3.beta.-ol;(3S,5S,9R,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;Ergost-8(14)-en-3-ol, (3.beta.,5.alpha.)-;a-Ergostenol;SCHEMBL4429572;Ergost-8(14)-en-3-ol #;.ALPHA.-ERGOSTENOL [MI];AWYDNKRGSOPYQB-ZHYOCZQLSA-N;CHEBI:181925;LMST01030113;5alpha-Ergosta-8(14)-ene-3beta-ol;C19652;Q27294955;(3.BETA.,5.ALPHA.)-ERGOST-8(14)-EN-3-OL

Chemical Property of delta8(14)-Ergostenol

Chemical Property:

• Vapor Pressure: 1.31E-11mmHg at 25°C
• Melting Point: 130-131°
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 488.9°Cat760mmHg
• PKA: 15.13±0.70(Predicted)
• Flash Point: 214.2°C
• PSA: 20.23000
• Density: 0.98g/cm³
• LogP: 7.77880
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 400.370516150
• Heavy Atom Count: 29
• Complexity: 632

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-ERGOSTENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(CCC4(C3CCC12C)C)O
• Isomeric SMILES: C[C@H](CC[C@H](C)C(C)C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O

Technology Process of delta8(14)-Ergostenol

There total 42 articles about delta8(14)-Ergostenol 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: 99.0%

Ergosterol (57-87-4) → (3β,5α)-ergost-8(14)-en-3-ol (632-32-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; dichloromethane; at 20 ℃; for 20h;

Reference yield: 87.0%

3β-acetoxy-5α-ergost-8(14)-ene (4042-95-9) → (3β,5α)-ergost-8(14)-en-3-ol (632-32-6)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; chloroform; Inert atmosphere;

DOI:10.3390/md12063091

Reference yield:

Ergosterol (57-87-4) + ethyl acetate (141-78-6) → (3β,5α)-ergost-8(14)-en-3-ol (632-32-6) + (3β,5α)-ergost-7-en-3-ol (516-78-9)

Guidance literature:

at 40 - 50 ℃; Hydrogenation;

DOI:10.1198/004017002188618518

upstream raw materials:

5α-ergost-8(14)-en-3-one

aluminum isopropoxide

isopropyl alcohol

Ergosterol

Downstream raw materials:

24β_F-methyl-5α-cholestadien-(8.14)-ol-(3β)

5α-ergosten-(8(14))-yl-(3α)-acetate

3β-acetoxy-5α-ergost-8(14)-ene

benzoic acid-[5α-ergosten-(8(14))-yl-(3β)-ester]

Refernces

• 1、 -. "NOVEL ERGOSTENOL GLYCOSIDE DERIVATIVE". Paragraph 0073-0075. . Retrieved 2019/11/19.
• 2、 Cragg,Davey,Hall,Meakins,Richards,Whateley. "Hydroxy-steroids. IV. The preparation and spectra of steroid olefins.". . p. 1266 - 1276. Retrieved 2007/10/10.