Xestospongin A

Base Information

• Chemical Name: Xestospongin A
• CAS No.: 88840-02-2
• Molecular Formula: C₂₈H₅₀N₂O₂
• Molecular Weight: 446.717
• DSSTox Substance ID: DTXSID70432435
• Nikkaji Number: J630.799J
• Wikidata: Q82246496
• Metabolomics Workbench ID: 168733
• Mol file: 88840-02-2.mol

Synonyms:XeA compound;xestospongin A

Chemical Property of Xestospongin A

Chemical Property:

• Melting Point: 135-136 ºC
• PSA: 24.94000
• LogP: 6.21100
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 446.38722884
• Heavy Atom Count: 32
• Complexity: 510

Purity/Quality:

98%Min ^*data from raw suppliers

(1R-(1R',4AR',11R',12AS',13R',16AR',23R',24AS'))-EICOSAHYDRO-5H,17H-1,23:11,13-DIETHANO-2H,14H-(1,11)DIOXACYCLO-EICOSINO(2,3-B:12,13-B')DIPYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
• Isomeric SMILES: C1CCC[C@H]2CCN3CCC[C@@H]([C@H]3O2)CCCCCC[C@H]4CCN5CCC[C@@H]([C@H]5O4)CC1

Technology Process of Xestospongin A

There total 2 articles about Xestospongin 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:

(+)-araguspongine E (88840-02-2) → (-)-araguspongine D (88840-02-2)

Guidance literature:

With aluminum oxide; at 80 ℃; for 5h;

DOI:10.1248/cpb.37.1676

Reference yield:

(+)-araguspongine B (88840-02-2) → (-)-araguspongine D (88840-02-2)

Guidance literature:

With aluminum oxide; at 80 ℃; for 5h;

DOI:10.1248/cpb.37.1676

Reference yield:

(+)-araguspongine E (88840-02-2) → (-)-araguspongine D (88840-02-2)

Guidance literature:

With aluminum oxide; at 80 ℃; for 5h;

DOI:10.1248/cpb.37.1676