16-O-Deacetylfusidic acid

Base Information

• Chemical Name: 16-O-Deacetylfusidic acid
• CAS No.: 13090-91-0
• Molecular Formula: C₂₉H₄₆O₅
• Molecular Weight: 474.681
• Mol file: 13090-91-0.mol

Synonyms:16-O-16-epideacetylfusidic acid;16-O-deacetylfusidic acid;16-O-deacetylfusidic acid, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha)-isomer;16-O-deacetylfusidic acid, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha, 17Z)-isomer;16-O-deacetylfusidic acid, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta)-isomer;16-O-deacetylfusidic acid, monosodium salt, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha,17Z)-isomer;16-O-deacetylfusidic acid, monosodium salt, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-isomer;16-O-desacetylfusidic acid

Chemical Property of 16-O-Deacetylfusidic acid

Chemical Property:

• Vapor Pressure: 1.02E-18mmHg at 25°C
• Melting Point: 199 - 199.5 °C
• Boiling Point: 633.6°Cat760mmHg
• Flash Point: 351°C
• PSA: 97.99000
• Density: 1.158g/cm³
• LogP: 4.70520
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 460.31887450
• Heavy Atom Count: 33
• Complexity: 841

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC3C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)O)C)O
• Isomeric SMILES: C[C@@H]1[C@@H](CC[C@]2(C1CC[C@H]3[C@H]2[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)O)C)O)C)O

Technology Process of 16-O-Deacetylfusidic acid

There total 3 articles about 16-O-Deacetylfusidic 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:

fusidic acid sodium salt → 16-Deacetyl-fusidinsaeure (13090-91-0)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) aq. HCl, Et₂O;

DOI:10.1016/S0040-4020(01)99267-1

Reference yield:

→ Desacetyl-16-epifusidinsaeure (3482-39-1,3482-40-4,5951-83-7,13090-91-0)

Guidance literature:

aus Fusidium coccineum;

DOI:10.1016/S0040-4020(01)93759-7

Reference yield:

→ 6-Methyl-2-[(3R,4S,8S,10S,11R,14S,16S)-3,11,16-trihydroxy-4,8,10,14-tetramethyl-hexadecahydro-cyclopenta[a]phenanthren-(17Z)-ylidene]-hept-5-enoic acid (3482-39-1,3482-40-4,5951-83-7,13090-91-0)

Guidance literature:

aus Ramycine (1), NaOH;