Lagochilin

Base Information

Chemical Name:Lagochilin
CAS No.:23554-81-6
Molecular Formula:C₂₀H₃₆O₅
Molecular Weight:356.503
Hs Code.:
UNII:S62BXK5HES
DSSTox Substance ID:DTXSID30392905
Nikkaji Number:J28.601J
Wikipedia:Lagochilin
Wikidata:Q13553949
ChEMBL ID:CHEMBL2165226
Mol file:23554-81-6.mol

Synonyms:Lagochilin;23554-81-6;S62BXK5HES;(1R,2S,4aS,5R,5'S,6R,8aS)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol;131898-43-6;(1'R,2'R,4'As,5S,5'R,6'S,8'as)-decahydro-6'-hydroxy-5-(2-hydroxyethyl)-2',5',8'a-trimethylspiro(furan-2(3H),1'(2'H)-naphthalene)-5,5'-dimethanol;(2R,4'aalpha,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'beta-hydroxy-5-(2-hydroxyethyl)-2'alpha,5',8'abeta-trimethylspiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'alpha-dimethanol;Lagochillin;(2R,4'aalpha,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'beta-hydroxy-5-(2-hydroxyethyl)-2'alpha,5',8'abeta-trimethylspiro(furan-2(3H),1'(2'H)-naphthalene)-5,5'alpha-dimethanol;UNII-S62BXK5HES;CHEMBL2165226;DTXSID30392905;CHEBI:167853;Labdane-3beta,15,16,18-tetrol, 9,13-epoxy-;Q13553949;LABDANE-3.BETA.,15,16,18-TETROL, 9,13-EPOXY-;(2R,4'A.ALPHA.,5S)-3',4,4',4A',5,5',6',7',8',8A'-DECAHYDRO-6'.BETA.-HYDROXY-5-(2-HYDROXYETHYL)-2'.ALPHA.,5',8'A.BETA.-TRIMETHYLSPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'.ALPHA.-DIMETHANOL;SPIRO(FURAN-2(3H),1'(2'H)-NAPHTHALENE)-5,5'-DIMETHANOL, DECAHYDRO-6'-HYDROXY-5-(2-HYDROXYETHYL)-2',5',8'A-TRIMETHYL-, (1'R-(1'.ALPHA.(S*),2'.ALPHA.,4'A.ALPHA.,5'.ALPHA.,6'.BETA.,8'A.BETA.))-;Spiro(furan-2(3H),1'(2'H)-naphthalene)-5,5'-dimethanol, decahydro-6'-hydroxy-5-(2-hydroxyethyl)-2',5',8'a-trimethyl-, (1'R-(1'alpha(S*),2'alpha,4'aalpha,5'alpha,6'beta,8'abeta))-

Suppliers and Price of Lagochilin

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

Cayman Chemical
Lagochiline ≥95%
50mg
$ 131.00

Cayman Chemical
Lagochiline ≥95%
25mg
$ 69.00

Cayman Chemical
Lagochiline ≥95%
100mg
$ 248.00

AK Scientific
Lagochilline
50mg
$ 276.00

AK Scientific
Lagochilline
25mg
$ 193.00

Total 3 raw suppliers

Chemical Property of Lagochilin

Chemical Property:

Vapor Pressure:6.6E-13mmHg at 25°C
Melting Point:167～168℃
Boiling Point:518.2°Cat760mmHg
Flash Point:267.2°C
PSA：90.15000
Density:1.18g/cm³
LogP:1.85480
XLogP3:2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:356.25627424
Heavy Atom Count:25
Complexity:499

Purity/Quality:

97% ^*data from raw suppliers

Lagochiline ≥95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
Isomeric SMILES:C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC[C@](O3)(CCO)CO)(CC[C@@H]([C@@]2(C)CO)O)C
Uses Plants from the mint genus Lagochilus have been used in traditional medicines of the east. Lagochiline is a polyphenolic natural product isolated from Lagochilus spp. which is thought to provide some of the benefits of the herb. The physiological, immunological, and toxicological properties of (2R,4'aα,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'β-hydroxy-5-(2-hydroxyethyl)-2'α,5',8'aβ-trimethylspiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'α-dimethanol remain to be determined. This product is intended for research and forensic purposes.[Cayman Chemical]

Technology Process of Lagochilin

There total 2 articles about Lagochilin 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: