Primulagenin A

Base Information

• Chemical Name: Primulagenin A
• CAS No.: 465-95-2
• Molecular Formula: C30H50O3
• Molecular Weight: 458.725
• UNII: 55Z6ND22N6
• Nikkaji Number: J12.641A
• Wikidata: Q27139226
• Metabolomics Workbench ID: 65374
• ChEMBL ID: CHEMBL496854
• Mol file: 465-95-2.mol

Synonyms:Primulagenin A;Genin A;primulagenin;465-95-2;UNII-55Z6ND22N6;CHEBI:70978;55Z6ND22N6;SCHIWALLIGENIN B1;GENIN A (PRIMULA);3beta,16alpha,28-trihydroxy-12-oleanene;(3beta,16alpha)-olean-12-ene-3,16,28-triol;Olean-12-ene-3,16,28-triol, (3beta,16alpha)-;(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol;CHEMBL496854;SCHEMBL1050073;BDBM50480252;OLEAN-12-ENE-3beta,16alpha,28-TRIOL;OLEAN-12-ENE-3.BETA.,16.ALPHA.,28-TRIOL;Q27139226;OLEAN-12-ENE-3,16,28-TRIOL, (3.BETA.,16.ALPHA.)-

Chemical Property of Primulagenin A

Chemical Property:

• Vapor Pressure: 1.95E-14mmHg at 25°C
• Boiling Point: 551°C at 760 mmHg
• Flash Point: 224.3°C
• PSA: 60.69000
• Density: 1.1g/cm³
• LogP: 6.11210
• XLogP3: 7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 458.37599545
• Heavy Atom Count: 33
• Complexity: 844

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)(C)C)O

Technology Process of Primulagenin A

There total 30 articles about Primulagenin A 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:

rotundiogenin A (79786-12-2) → primulagenin A (465-95-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; for 5h;

DOI:10.1248/cpb.29.2222

Reference yield:

echinocystic acid (510-30-5) → primulagenin A (465-95-2)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1248/cpb.33.4685

Reference yield:

androseptoside D1 (84897-08-5) → primulagenin A (465-95-2)

Guidance literature:

With sulfuric acid; In water; at 110 ℃; for 6h;

DOI:10.1007/BF00575066

upstream raw materials:

ethanol

isopropyl alcohol

(4aS)-5t,10c-diacetoxy-2,2,6at,6bc,9,9,12ac-heptamethyl-4ar-hydroxymethyl-(8atH,12btH,14bcH)-Δ¹⁴-eicosahydro-picene

3β.16α-diacetoxy-oleanen-(12)-al-(28)