Odddh

Base Information

• Chemical Name: Odddh
• CAS No.: 102416-28-4
• Molecular Formula: C46H56 O8
• Molecular Weight: 736.946
• DSSTox Substance ID: DTXSID20907486
• Mol file: 102416-28-4.mol

Synonyms:18-olean-9(11),12-diene-3,30-diol dihemiphthalate;18-olean-9(11),12-diene-3,30-diol dihemiphthalate, disodium salt, (3beta,20beta)-isomer;ODDDH

Chemical Property of Odddh

Chemical Property:

• Vapor Pressure: 7.77E-28mmHg at 25°C
• Boiling Point: 811.6°Cat760mmHg
• Flash Point: 236.8°C
• PSA: 127.20000
• Density: 1.25g/cm³
• LogP: 10.18720
• XLogP3: 10.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 736.39751874
• Heavy Atom Count: 54
• Complexity: 1610

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(=CC=C4C3(CCC5(C4CC(CC5)(C)COC(=O)C6=CC=CC=C6C(=O)O)C)C)C2(CCC1OC(=O)C7=CC=CC=C7C(=O)O)C)C)C
• Isomeric SMILES: C[C@]12CC[C@](C[C@H]1C3=CC=C4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O

Technology Process of Odddh

There total 3 articles about Odddh 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:

phthalic anhydride (85-44-9) + 18β-olean-9(11),12-diene-3β,30-diol (13947-07-4) → 3β,30-O-di-o-phthaloyl 18β-olean-9(11),12-diene-3β,30-diol (102416-28-4)

Guidance literature:

With triethylamine; In pyridine; at 90 - 100 ℃; for 7h;

DOI:10.1248/cpb.35.1910

Reference yield:

enoxolone (471-53-4) → 3β,30-O-di-o-phthaloyl 18β-olean-9(11),12-diene-3β,30-diol (102416-28-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 660 mg / NaAlH₂(OCH₂CH₂OCH₃)2 / tetrahydrofuran; toluene / 1 h / 60 °C

2: 90 percent / conc. HCl / CHCl₃ / 0.17 h / Ambient temperature

3: triethylamine / pyridine / 7 h / 90 - 100 °C

With hydrogenchloride; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; pyridine; chloroform; toluene;

DOI:10.1248/cpb.35.1910

Reference yield:

18β-olean-12-ene-3β,11β,30-triol (13947-06-3) → 3β,30-O-di-o-phthaloyl 18β-olean-9(11),12-diene-3β,30-diol (102416-28-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / conc. HCl / CHCl₃ / 0.17 h / Ambient temperature

2: triethylamine / pyridine / 7 h / 90 - 100 °C

With hydrogenchloride; triethylamine; In pyridine; chloroform;

DOI:10.1248/cpb.35.1910

upstream raw materials:

phthalic anhydride

18β-olean-9(11),12-diene-3β,30-diol

enoxolone

18β-olean-12-ene-3β,11β,30-triol