Solanocapsine

Base Information

• Chemical Name: Solanocapsine
• CAS No.: 639-86-1
• Molecular Formula: C27H46 N2 O2
• Molecular Weight: 430.674
• NSC Number: 102622
• UNII: WWQ51S32N8
• DSSTox Substance ID: DTXSID00980818
• Wikipedia: Solanocapsine
• Wikidata: Q14035668
• ChEMBL ID: CHEMBL2002365
• Mol file: 639-86-1.mol

Synonyms:Solanocapsine;Solanocapsin;639-86-1;NSC102622;NSC 102622;UNII-WWQ51S32N8;CHEBI:9189;WWQ51S32N8;NSC-102622;16,28-Secosolanidan-23-ol, 3-amino-16,23-epoxy-, (3beta,5alpha,16alpha,22alpha,23beta,25beta)-;C27H46N2O2;C27-H46-N2-O2;amino(tetramethyl)[?]ol;SOLANOCAPSINE [MI];CHEMBL2002365;DTXSID00980818;(3-beta,5-alpha,16-alpha,22-alpha,23-beta,25-beta)-3-Amino-16,23-epoxy-16,28-secosolanidan-23-ol;NCI60_000071;LS-145589;Q14035668;16, 3-amino-16,23-epoxy-, (3.beta.,5.alpha.,16.alpha.,22.alpha.,23.beta.,25.beta.)-;(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20R,22S,24R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol;3.BETA.-AMINO-22,26-IMINO-16.BETA.,23-OXIDO-5.ALPHA.,22R,23S,25R-CHOLESTAN-23-OL;Naphth[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol,2-aminodocosahydro-4a,6a,7,10-tetramethyl-, (2S,4aS,4bS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-

Chemical Property of Solanocapsine

Chemical Property:

• Melting Point: 213-215°
• Boiling Point: 545.8°Cat760mmHg
• Flash Point: 283.9°C
• PSA: 67.51000
• Density: 1.064g/cm³
• LogP: 5.33310
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 430.35592871
• Heavy Atom Count: 31
• Complexity: 730

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)NC1)O
• Isomeric SMILES: C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O

Technology Process of Solanocapsine

There total 3 articles about Solanocapsine 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:

→ 3-iso-Solanocapsin (639-86-1,23031-68-7,30655-65-3,34897-18-2,35865-34-0)

Guidance literature:

26, PtO2/H2;

DOI:10.1016/0040-4020(72)88045-1

Reference yield:

→ Solanocapsin (639-86-1,23031-68-7,30655-65-3,34897-18-2,35865-34-0)

Guidance literature:

Oxim XI, H2/Pt/AcOH;

DOI:10.1016/S0040-4039(00)99986-6

Reference yield:

→ Solanocapsin (639-86-1,23031-68-7,30655-65-3,34897-18-2,35865-34-0)

Guidance literature:

3, Hydrierung;

DOI:10.1016/0040-4020(77)84088-X

Downstream raw materials:

N-salicylideneisosolacapine

episolacapine

solacapine