Calaxin

Base Information

Chemical Name:Calaxin
CAS No.:30412-86-3
Molecular Formula:C₁₉H₂₀O₆
Molecular Weight:344.364
Hs Code.:
ChEMBL ID:CHEMBL189790
DSSTox Substance ID:DTXSID501100020
Metabolomics Workbench ID:125271
Nikkaji Number:J18.028I
Wikidata:Q27106017
Mol file:30412-86-3.mol

Synonyms:Calaxin;30412-86-3;CHEBI:3302;15-deoxygoiazensolide;2-Propenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*,6R*,10Z,11aR*))-;[(2Z,4R,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylprop-2-enoate;C09353;CHEMBL189790;DTXSID501100020;PD179335;Q27106017;2-Propenoic acid, 2-methyl-, (3aR,4R,6R,11aR)-2,3,3a,4,5,6,7,11a-octahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxy(10Z)-cyclodeca[b]furan-4-yl ester

Suppliers and Price of Calaxin

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 Calaxin

Chemical Property:

Vapor Pressure:1.78E-12mmHg at 25°C
Melting Point:175-177 °C
Boiling Point:557.8°Cat760mmHg
Flash Point:246.5°C
PSA：78.90000
Density:1.26g/cm³
LogP:2.16400
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:344.12598835
Heavy Atom Count:25
Complexity:771

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2C(C(CC3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2
Isomeric SMILES:C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@]3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2

Technology Process of Calaxin

There total 2 articles about Calaxin 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:

: C₁₅H₁₈O₅

: 30412-86-3,81767-50-2
15-deoxygoyazensolide

Guidance literature:: Multi-step reaction with 2 steps

1: manganese(IV) oxide / dichloromethane

2: dmap; triethylamine / tetrahydrofuran

With dmap; manganese(IV) oxide; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/acscentsci.1c00056

Reference yield:

: 760-93-0
methacryloyl anhydride

: 67815-63-8
atripliciolide

: 30412-86-3,81767-50-2
15-deoxygoyazensolide

Guidance literature:: With dmap; triethylamine; In tetrahydrofuran;
DOI:10.1021/acscentsci.1c00056

Reference yield: 92.0%

: 30412-86-3,81767-50-2
15-deoxygoyazensolide

: 69883-97-2,84093-30-1
eremantholide C

Guidance literature:: With (triphenylphosphine)copper hydride hexamer; In tetrahydrofuran; at 25 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jo301595b