Calabaxanthone

Base Information

• Chemical Name: Calabaxanthone
• CAS No.: 39011-96-6
• Molecular Formula: C24H24O5
• Molecular Weight: 0
• NSC Number: 372808
• UNII: Y7Z3U6WUB8
• DSSTox Substance ID: DTXSID40321281
• Nikkaji Number: J19.382H
• Wikidata: Q82079085
• Metabolomics Workbench ID: 44493
• Mol file: 39011-96-6.mol

Synonyms:Calabaxanthone;39011-96-6;5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one;NSC 372808;NSC-372808;NSC372808;Y7Z3U6WUB8;DTXSID40321281;CHEBI:172627;2H,6H-Pyrano[3,2-b]xanthen-6-one, 5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-;2H,6H-Pyrano[3,2-b]xanthen-6-one, 5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-;5-Hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-buten-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one;5-Hydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one, 9CI;5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,6-dihydro-1,11-dioxatetracen-6-one;8-METHOXY-2,2-DIMETHYL-7-(3-METHYLBUT-2-ENYL)-5-OXIDANYL-PYRANO(3,2-B)XANTHEN-6-ONE

Chemical Property of Calabaxanthone

Chemical Property:

• Vapor Pressure: 1.05E-13mmHg at 25°C
• Boiling Point: 572.4°C at 760 mmHg
• Flash Point: 197.3°C
• PSA: 68.90000
• Density: 1.221g/cm³
• LogP: 5.35330
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 392.16237386
• Heavy Atom Count: 29
• Complexity: 691

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)OC)C

Technology Process of Calabaxanthone

There total 1 articles about Calabaxanthone 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:

6-deoxy-γ-mangostin → Calabaxanthon (39011-96-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; for 15h; Heating;

DOI:10.1016/0031-9422(82)83202-0