Cauloside A

Base Information

Chemical Name:Cauloside A
CAS No.:17184-21-3
Molecular Formula:C35H56 O8
Molecular Weight:604.825
Hs Code.:
UNII:QW2X5B5L5W
DSSTox Substance ID:DTXSID80938054
Nikkaji Number:J38.802E
Wikidata:Q27106835
Metabolomics Workbench ID:135135
ChEMBL ID:CHEMBL452911
Mol file:17184-21-3.mol

Synonyms:3-(alpha-L-arabinopyransoyloxy)-23-hydroxy-olean-12-en-28-oic acid;3-O-(alpha-L-arabinopyranosyl)hederagenin;3-O-arabinopyranosylhederagenin;cauloside A;FJ-2 acid;leontoside A

Suppliers and Price of Cauloside A

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

Crysdot
CaulosideA 95+%
5mg
$ 723.00

ChemScene
CaulosideA
1mg
$ 200.00

ChemScene
CaulosideA
5mg
$ 500.00

Arctom
CaulosideA ≥98%
5mg
$ 413.00

Total 34 raw suppliers

Chemical Property of Cauloside A

Chemical Property:

Vapor Pressure:6.76E-24mmHg at 25°C
Melting Point:276-278℃
Boiling Point:719.3°C at 760 mmHg
PKA:4.63±0.70(Predicted)
Flash Point:219.7°C
PSA：136.68000
Density:1.25g/cm³
LogP:4.66930
XLogP3:4.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:604.39751874
Heavy Atom Count:43
Complexity:1150

Purity/Quality:

≥98% ^*data from raw suppliers

CaulosideA 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)O)C
Isomeric SMILES:C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O

Technology Process of Cauloside A

There total 43 articles about Cauloside A 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%

: 171489-59-1
methyl (1R,3R)-1-(3,4-methylenedioxyphenyl)-2-chloroacetyl-2,3,4,9-tetrahydro-9H-pyrido[3,4-b]indol-3-carboxylate

: 171596-36-4
(6R,12aR)-6-(benzo[d][1,3]dioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Guidance literature:: With ammonia; In methanol; at 45 ℃; for 20h;
DOI:10.1016/j.bmcl.2006.10.069

Reference yield:

: 171596-41-1
(1R,3R)-methyl 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate

: 171596-36-4
(6R,12aR)-6-(benzo[d][1,3]dioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / triethylamine / CHCl₃ / -10 °C

2: 70 percent / NH₃ / methanol / 20 h / 45 °C

With ammonia; triethylamine; In methanol; chloroform;
DOI:10.1016/j.bmcl.2006.10.069

Reference yield:

: 4299-70-1,7303-49-3,22032-65-1
D-Tryptophan methyl ester

: 171596-36-4
(6R,12aR)-6-(benzo[d][1,3]dioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 42 percent / TFA / CH₂Cl₂ / 20 °C

2: 93 percent / NaHCO₃ / CHCl₃ / 20 °C

3: 31 percent / methanolic NH₃ / Heating

With ammonia; sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane; chloroform; 1: Pictet-Spengler reaction;
DOI:10.1021/jm0300577