Aloin B

Base Information

Chemical Name:Aloin B
CAS No.:28371-16-6
Molecular Formula:C₂₁H₂₂O₉
Molecular Weight:418.4
Hs Code.:29389090
UNII:69VIB0J2WK
DSSTox Substance ID:DTXSID70904581
Nikkaji Number:J14.990J
Wikipedia:Aloin
Wikidata:Q27144440
NCI Thesaurus Code:C76760
Metabolomics Workbench ID:66832
ChEMBL ID:CHEMBL3617994

Synonyms:alloin;aloin;aloin A;aloin B

Suppliers and Price of Aloin B

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
AloinB
50mg
$ 215.00

TRC
AloinB
5mg
$ 45.00

TRC
AloinB
10mg
$ 70.00

Medical Isotopes, Inc.
AloinB 97%
1000 mg
$ 1500.00

Crysdot
AloinB 98+%
10mg
$ 119.00

Crysdot
AloinB 98+%
5mg
$ 69.00

Cayman Chemical
Aloin B
10mg
$ 315.00

Cayman Chemical
Aloin B
1mg
$ 45.00

Cayman Chemical
Aloin B ≥98%
25mg
$ 675.00

Cayman Chemical
Aloin B
5mg
$ 180.00

Total 44 raw suppliers

Chemical Property of Aloin B

Chemical Property:

Vapor Pressure:8.48E-24mmHg at 25°C
Melting Point:147～148℃
Boiling Point:752.6°Cat760mmHg
PKA:7.12±0.40(Predicted)
Flash Point:268°C
PSA：167.91000
Density:1.647g/cm³
LogP:-0.89120
Storage Temp.:2-8°C
XLogP3:-0.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:418.12638228
Heavy Atom Count:30
Complexity:630

Purity/Quality:

≥98% ^*data from raw suppliers

AloinB ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO
Isomeric SMILES:C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
Uses Aloin B is an aloe exudate and a phytochemical constituent. It is one isomer of Aloin, the other being Aloin A (A575415)

Technology Process of Aloin B

There total 4 articles about Aloin B 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:

: 1415-73-2,28371-16-6,73649-93-1,5133-19-7
10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone

Guidance literature:: With ethanol; sodium ethanolate; unter vermindertem Druck;

Reference yield:

: 1,8-dihydroxy-3-hydroxymethyl-10-(tetra-O-acetyl-ξ-D-glucopyranosyl)-anthrone

: 1415-73-2,28371-16-6,73649-93-1,5133-19-7
10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone

Guidance literature:: With ethanol; sodium ethanolate; unter vermindertem Druck;

Reference yield:

: 6247-99-0
1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone

: 1415-73-2,28371-16-6,73649-93-1,5133-19-7
10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH solution; acetone / unter Ausschluss von Licht und Luft

2: sodium ethylate; ethanol / unter vermindertem Druck

With sodium hydroxide; ethanol; sodium ethanolate; acetone;