ChemicalBook--->CAS DataBase List--->28371-16-6

28371-16-6

28371-16-6 Structure

28371-16-6 Structure
IdentificationBack Directory
[Name]

Aloin B
[CAS]

28371-16-6
[Synonyms]

ALOIN B
ALOIN B(P)
Isobarbaloin
Aloin B, >99%
Aloin B (Aloin-B
ALOIN B; ISOBARBALOIN
dihydroxy-3-(hydroxymethyl)-,(R)-
9(10H)-Anthracenone,10-β-D-glucopyranosyl-1,8-
Aloin B, 98%, from Aloe vera (L.) Burm.f. var. chinensis (Haw.) A. Berger
(R)-10-(β-D-Glucopyranosyl)-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
(R)-10-(β-D-Glucopyranosyl)-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10H)-one
(10R)-10-β-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone
9(10H)-Anthracenone,10-b-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-,(10R)-
9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10R)-
[Molecular Formula]

C21H22O9
[MDL Number]

MFCD00869345
[MOL File]

28371-16-6.mol
[Molecular Weight]

418.4
Chemical PropertiesBack Directory
[Melting point ]

147~148℃
[Boiling point ]

752.6±60.0 °C(Predicted)
[density ]

1.647±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 0.25 mg/ml; PBS (pH 7.2): 0.5 mg/ml
[form ]

A crystalline solid
[pka]

7.12±0.40(Predicted)
[color ]

Light yellow to yellow
[Major Application]

(pharmaceutical small molecule)
[InChIKey]

AFHJQYHRLPMKHU-GQMFJIQQNA-N
[SMILES]

O[C@@H]1[C@H]([C@H](O)[C@@H](CO)O[C@@]1([H])[C@]1([H])C2=CC=CC(O)=C2C(=O)C2C(=CC(CO)=CC1=2)O)O |&1:1,2,3,5,9,11,r|
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H290
[Precautionary statements ]

P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
[WGK Germany ]

WGK 3
[HS Code ]

29389090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Yellow powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from the dicotyledonous plant Liliaceae Aloe vera L.
[Uses]

Aloin B is an aloe exudate and a phytochemical constituent. It is one isomer of Aloin, the other being Aloin A (A575415)
[Definition]

ChEBI: A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R d astereoisomer).
Spectrum DetailBack Directory
[Spectrum Detail]

Aloin B(28371-16-6)1HNMR
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