(3beta)-3,27-Dihydroxyolean-12-en-28-oic acid

Base Information

• Chemical Name: (3beta)-3,27-Dihydroxyolean-12-en-28-oic acid
• CAS No.: 55497-67-1
• ChEMBL ID: CHEMBL498636
• DSSTox Substance ID: DTXSID601318614
• Metabolomics Workbench ID: 65493
• Nikkaji Number: J688.371K
• Wikidata: Q27139417

Synonyms:(3beta)-3,27-dihydroxyolean-12-en-28-oic acid;CHEBI:71171;Myricerol;CHEMBL498636;SCHEMBL4668032;DTXSID601318614;55497-67-1;Q27139417;(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Chemical Property of (3beta)-3,27-Dihydroxyolean-12-en-28-oic acid

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 472.35526001
• Heavy Atom Count: 34
• Complexity: 904

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)CO)C(=O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CO)C)(C)C)O

Technology Process of (3beta)-3,27-Dihydroxyolean-12-en-28-oic acid

There total 1 articles about (3beta)-3,27-Dihydroxyolean-12-en-28-oic acid 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:

(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-[(E)-3-(3,4-Diacetoxy-phenyl)-acryloyloxy]-6a-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid → 3β,27-dihydroxyolean-12-en-28-oic acid (55497-67-1) + Myriceric acid B (55497-79-5) + Myriceric acid C (162059-94-1)

Guidance literature:

With potassium hydroxide; for 2h; Heating;

DOI:10.1248/cpb.44.343

Reference yield:

3β,27-dihydroxyolean-12-en-28-oic acid (55497-67-1) → (E)-3-Phenyl-acrylic acid (4aR,6aR,6bR,8aR,12aR,12bR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-oxo-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picen-6a-ylmethyl ester

Guidance literature:

Multi-step reaction with 7 steps

1: 181 mg / pyridine / 0.5 h

2: 77 percent / pyridine / CH₂Cl₂ / 2 h / Ambient temperature

3: 67 percent / tri-butyltin hydride, di-tert-butylperoxide / toluene / 2.5 h / Ambient temperature

4: 40 percent / 5percent methanolic KOH / 4 h / Ambient temperature

5: 93 percent / Jones' reagent / acetone / 0.5 h / 0 °C

6: 85 percent / 5percent methanolic KOH / 1 h / Heating

7: 66 percent / pyridine / 72 h / 70 °C

With pyridine; potassium hydroxide; jones' reagent; di-tert-butyl peroxide; tri-n-butyl-tin hydride; In dichloromethane; acetone; toluene;

DOI:10.1248/cpb.44.343

Reference yield:

3β,27-dihydroxyolean-12-en-28-oic acid (55497-67-1) → Acetic acid (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-acetoxy-2,2,6b,9,9,12a-hexamethyl-4a-phenoxythiocarbonyloxycarbonyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picen-6a-ylmethyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 181 mg / pyridine / 0.5 h

2: 77 percent / pyridine / CH₂Cl₂ / 2 h / Ambient temperature

With pyridine; In dichloromethane;

DOI:10.1248/cpb.44.343

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