Marrubiin

Base Information

Chemical Name:Marrubiin
CAS No.:465-92-9
Molecular Formula:C₂₀H₂₈O₄
Molecular Weight:332.44
Hs Code.:
European Community (EC) Number:805-148-7
NSC Number:36693
UNII:AP086P88M4
DSSTox Substance ID:DTXSID50963595
Nikkaji Number:J3.534.022J
Wikidata:Q11770828
Metabolomics Workbench ID:126050
ChEMBL ID:CHEMBL1999372
Mol file:465-92-9.mol

Synonyms:marrubiin

Suppliers and Price of Marrubiin

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

TRC
Marrubiin
5mg
$ 100.00

Biosynth Carbosynth
Marrubiin
25 mg
$ 250.00

Biosynth Carbosynth
Marrubiin
10 mg
$ 150.00

Biosynth Carbosynth
Marrubiin
5 mg
$ 85.00

Biosynth Carbosynth
Marrubiin
50 mg
$ 400.00

Biosynth Carbosynth
Marrubiin
100 mg
$ 650.00

Biorbyt Ltd
Marrubiin
10 mg
$ 499.80

Biorbyt Ltd
Marrubiin
20 mg
$ 654.50

AK Scientific
Marrubiin
100mg
$ 927.00

AK Scientific
Marrubiin
25mg
$ 387.00

Total 23 raw suppliers

Chemical Property of Marrubiin

Chemical Property:

Vapor Pressure:1.87E-09mmHg at 25°C
Melting Point:159-162°C
Boiling Point:465.2°Cat760mmHg
PKA:14.66±0.70(Predicted)
Flash Point:235.2°C
PSA：59.67000
Density:1.152g/cm³
LogP:3.72120
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:332.19875937
Heavy Atom Count:24
Complexity:534

Purity/Quality:

97% ^*data from raw suppliers

Marrubiin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 25
Safety Statements: 1-22-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C
Isomeric SMILES:C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C
Uses Marrubiin is an α-glucosidase inhibitor and an analgesic compound.

Technology Process of Marrubiin

There total 29 articles about Marrubiin 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: 70.0%

: (1S,4R,6R,7R,8S,12R)-7-[2-[2-(trimethylsilyl)furan-3-yl]ethyl]-7-hydroxy-1,6,8-trimethyl-2-oxo-3-oxatricyclo[6.3.1.0^4,12]dodecane

: 465-92-9,13256-49-0,83997-35-7
marrubiin

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 4h;
DOI:10.3390/molecules25071610

Reference yield: 66.0%

: (2′R,2aS,5aS,6R,7R,8aR)-2a,5a,7-trimethyloctahydrospiro[6H-naphtho[1,8-bc]furan-6,2′-oxiran]-2(2aH)-one

: 63184-61-2
3-(bromomethyl)furan

: 465-92-9,13256-49-0,83997-35-7
marrubiin

Guidance literature:: 3-(bromomethyl)furan; With magnesium; In diethyl ether; at 0 ℃;

(2′R,2aS,5aS,6R,7R,8aR)-2a,5a,7-trimethyloctahydrospiro[6H-naphtho[1,8-bc]furan-6,2′-oxiran]-2(2aH)-one; With copper(I) bromide dimethylsulfide complex; In diethyl ether; at -20 ℃; for 13h;
DOI:10.1021/acs.orglett.6b01602

Reference yield: 66.0%

: (2′R,2aS,5aS,6R,7R,8aR)-2a,5a,7-trimethyloctahydrospiro[6H-naphtho[1,8-bc]furan-6,2′-oxiran]-2(2aH)-one

: 63184-61-2
3-(bromomethyl)furan

: 7439-95-4
magnesium

: 465-92-9,13256-49-0,83997-35-7
marrubiin

Guidance literature:: 3-(bromomethyl)furan; magnesium; In diethyl ether; at 0 ℃;

(2′R,2aS,5aS,6R,7R,8aR)-2a,5a,7-trimethyloctahydrospiro[6H-naphtho[1,8-bc]furan-6,2′-oxiran]-2(2aH)-one; With copper(I) bromide dimethylsulfide complex; In diethyl ether; at -20 ℃; for 13h;
DOI:10.1021/acs.orglett.6b01602