CID 13258912

Base Information

• Chemical Name: CID 13258912
• CAS No.: 38710-26-8
• Molecular Formula: C₁₈H₂₃NO₆
• Molecular Weight: 349.384
• European Community (EC) Number: 805-142-4
• Nikkaji Number: J1.038.287D
• Wikidata: Q104375898
• Mol file: 38710-26-8.mol

Synonyms:Seneciphylline N-oxide;38710-26-8;(1R,4Z,7R,17R)-4-Ethylidene-7-hydroxy-7-methyl-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;Seneciphylline oxide;seneciphyllin N-oxide;Seneciphylline-N-oxide;CHEBI:136404;HY-N2561;AKOS037514835;AKOS040760708;FS-9852;CS-0022893;Seneciphylline-N-oxide 100 microg/mL in Water;13,19-didehydro-12-hydroxysenecionan-11,16-dione 4-oxide;(3Z,6R,14aR,14bR)-3-ethylidene-6-hydroxy-6-methyl-5-methylidene-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12lambda(5)-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione;(6R,9a1R,14aR,Z)-3-ethylidene-6-hydroxy-6-methyl-5-methylene-2,7-dioxo-2,3,4,5,6,7,9,9a1,11,13,14,14a-dodecahydro-12H-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine 12-oxide

Chemical Property of CID 13258912

Chemical Property:

• PKA: 12.40±0.20(Predicted)
• PSA: 102.26000
• LogP: 1.08430
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 349.15253745
• Heavy Atom Count: 25
• Complexity: 696

Purity/Quality:

99% ^*data from raw suppliers

Seneciphylline N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CC(=C)C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(C)O
• Isomeric SMILES: C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O
• Description: Spartioidine N-oxide is a pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid, a tertiary alcohol and a tertiary amine oxide. It derives from a spartioidine.
• Uses: Seneciphylline N-oxide is a pyrrolizidine alkaloid that is naturally found in the extracts of Adenostyles alliariae, a plant that is native to the western Alps. Seneciphylline N-oxide is highly toxic to mammals and is also a suspected mutagen.

Technology Process of CID 13258912

There total 1 articles about CID 13258912 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:

seneciphylline (480-81-9,520-59-2,129029-37-4) → seneciphylline N-oxide (38710-26-8,121123-61-3)

Guidance literature:

With dihydrogen peroxide;

DOI:10.1002/jms.2969

upstream raw materials:

seneciphylline

Refernces