10-Deacetylcephalomannine

Base Information

• Chemical Name: 10-Deacetylcephalomannine
• CAS No.: 76429-85-1
• Molecular Formula: C43H51NO13
• Molecular Weight: 789.877
• European Community (EC) Number: 801-593-6
• DSSTox Substance ID: DTXSID301312667
• Wikidata: Q76386754
• Metabolomics Workbench ID: 130484
• ChEMBL ID: CHEMBL311251
• Mol file: 76429-85-1.mol

Synonyms:10-Deacetyltaxol B;10-Deacetylcephalomannine;76429-85-1;10-Deacetyl Cephalomannine;10beta-Deacetylcephalomanine;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;Benzenepropanoic acid, alpha-hydroxy-beta-(((2E)-2-methyl-1-oxo-2-butenyl)amino)-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-;10-Deacetyltaxol-B;CHEMBL311251;C43H51NO13;DTXSID301312667;C43-H51-N-O13

Chemical Property of 10-Deacetylcephalomannine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 930.8°Cat760mmHg
• Flash Point: 516.7°C
• PSA: 218.71000
• Density: 1.37g/cm³
• LogP: 3.65760
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 789.33604068
• Heavy Atom Count: 57
• Complexity: 1680

Purity/Quality:

99% ^*data from raw suppliers

10-DeacetylCephalomannine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O
• Isomeric SMILES: C/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O
• Uses: 10-Deacetyl Cephalomannine is a derivative of Cephalomannine (C258500).

Technology Process of 10-Deacetylcephalomannine

There total 2 articles about 10-Deacetylcephalomannine 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: 88.0%

cephalomannine (71610-00-9) → 10β-deacetylcephalomannine (76429-85-1,78479-12-6)

Guidance literature:

With dihydrogen peroxide; sodium hydrogencarbonate; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1002/ejoc.200300376

Reference yield:

Cephalomannine (71610-00-9) → 10-deacetylbaccatin III (32981-86-5,172018-16-5) + (2R,3S)-2-Hydroxy-3-((E)-2-methyl-but-2-enoylamino)-3-phenyl-propionic acid methyl ester (71610-01-0) + 10-Deacetylcephalomannine (76429-85-1,78479-12-6) + baccatin III (27548-93-2)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water; for 5h; Further byproducts given; Ambient temperature;

DOI:10.1021/jo00320a045

Reference yield: 51.0%

triethylsilyl chloride (994-30-9) + 10β-deacetylcephalomannine (76429-85-1,78479-12-6) → C49H65NO13Si (651293-91-3)

Guidance literature:

With 1H-imidazole; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/ejoc.200300376

upstream raw materials:

Cephalomannine

cephalomannine

Downstream raw materials:

C₄₉H₆₅NO₁₃Si

2'-acetylcephalomannine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 76429-85-1 DEACETYLTAXOL B, 10-(RG)

Send

Send

Metric Ton KG G Pound L ML

Send

Send