Pavoninin-4

Base Information

Chemical Name:Pavoninin-4
CAS No.:94359-66-7
Molecular Formula:C₃₇H₆₃NO₉
Molecular Weight:665.909
Hs Code.:
UNII:YIG180HV2J
Metabolomics Workbench ID:168988,199285
Nikkaji Number:J261.880J
Wikidata:Q27294537
Mol file:94359-66-7.mol

Synonyms:pavoninin-4

Suppliers and Price of Pavoninin-4

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Pavoninin-4

Chemical Property:

Vapor Pressure:8.04E-29mmHg at 25°C
Melting Point:134 - 136 °C
Boiling Point:789.7°C at 760 mmHg
Flash Point:431.4°C
PSA：154.78000
Density:1.19g/cm³
LogP:4.34150
XLogP3:5.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:665.45028259
Heavy Atom Count:47
Complexity:1090

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCCC(C)C1CC(C2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)COC(=O)C
Isomeric SMILES:C[C@H](CCC[C@@H](C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)COC(=O)C

Technology Process of Pavoninin-4

There total 16 articles about Pavoninin-4 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: 96.0%

: 872465-39-9
(25R)-15α-(2-acetylamino-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyloxy)-3α-hydroxy-5α-cholestan-26-yl acetate

: 94359-66-7
pavoninin-4

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃;
DOI:10.1021/jo051733a

Reference yield:

: 872465-33-3
(25R)-5α-cholest-16-ene-3α,26-diol 3,26-dibenzoate

: 94359-66-7
pavoninin-4

Guidance literature:: Multi-step reaction with 7 steps

1: 60 percent / chromium trioxide; 3,5-dimethylpyrazole / CH₂Cl₂ / 5 h / -20 °C

2: 98 percent / NaBH₄; cerium trichloride / tetrahydrofuran; methanol / 2 h / 20 °C

3: 98 percent / H₂ / Pd(OH)2/C / ethyl acetate / 3 h

4: 72 percent / AgClO₄; SnCl₂ / CH₂Cl₂ / 16 h / 0 °C

5: 90 percent / KOH / methanol; CH₂Cl₂ / 12 h / Heating

6: 80 percent / Bu₈Sn₄Cl₄O₂ / CH₂Cl₂ / 12 h / 20 °C

7: 96 percent / H₂ / Pd/C / methanol / 20 °C

With 3,5-dimethyl-1H-pyrazole; chromium(VI) oxide; potassium hydroxide; sodium tetrahydroborate; cerium(III) chloride; Bu₈Sn₄Cl₄O₂; hydrogen; silver perchlorate; tin(ll) chloride; palladium dihydroxide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; 2: Luche reduction / 6: Otera's transesterification;
DOI:10.1021/jo051733a

Reference yield:

: 872465-34-4
(25R)-3α,26-dihydroxy-5α-cholest-16-en-15-one 3,26-dibenzoate

: 94359-66-7
pavoninin-4

Guidance literature:: Multi-step reaction with 6 steps

1: 98 percent / NaBH₄; cerium trichloride / tetrahydrofuran; methanol / 2 h / 20 °C

2: 98 percent / H₂ / Pd(OH)2/C / ethyl acetate / 3 h

3: 72 percent / AgClO₄; SnCl₂ / CH₂Cl₂ / 16 h / 0 °C

4: 90 percent / KOH / methanol; CH₂Cl₂ / 12 h / Heating

5: 80 percent / Bu₈Sn₄Cl₄O₂ / CH₂Cl₂ / 12 h / 20 °C

6: 96 percent / H₂ / Pd/C / methanol / 20 °C

With potassium hydroxide; sodium tetrahydroborate; cerium(III) chloride; Bu₈Sn₄Cl₄O₂; hydrogen; silver perchlorate; tin(ll) chloride; palladium dihydroxide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; 1: Luche reduction / 5: Otera's transesterification;
DOI:10.1021/jo051733a