ChemicalBook--->CAS DataBase List--->20853-07-0

20853-07-0

20853-07-0 Structure

20853-07-0 Structure
IdentificationBack Directory
[Name]

Protoaescigenin
[CAS]

20853-07-0
[Synonyms]

Protoescigenin
Protoescigenine
Protoaescigenin
Olean-12-ene-3,16,21,22,23,28-hexol, (3β,4β,16α,21β,22α)-
(3beta,4beta,16bta,21beta,22alpha)-Olean-12-ene-3,16,21,22,23,28-hexol
[Molecular Formula]

C30H50O6
[MOL File]

20853-07-0.mol
[Molecular Weight]

506.71
Chemical PropertiesBack Directory
[Boiling point ]

634.504±55.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.23±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

14.035±0.70(predicted)
[color ]

White to off-white
[InChIKey]

VKJLHZZPVLQJKG-JAGYOTNFSA-N
[SMILES]

O[C@@H]1[C@]2([C@@H](CC([C@H]1O)(C)C)C3=CC[C@@H]4[C@@]5([C@H]([C@]([C@H](CC5)O)(CO)C)CC[C@]4([C@@]3(C[C@H]2O)C)C)C)CO
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Protoescigenin is the main aglycone of horse chestnut saponin mixture known as escin. Protoescigenin is selected as substrate for exploratory chemistry towards selective protection, followed by propargyl ether formation and subsequent condensation with azido-monosaccharides, to obtain novel triazole linked conjugates of the triterpene[1].
[References]

[1] Jatczak, K., et al. Preparation of selectively protected protoescigenin derivatives for synthesis of escin analogs and neoglycoconjugates. cent.eur.j.chem. 12, 1222–1231 (2014).
Spectrum DetailBack Directory
[Spectrum Detail]

Protoaescigenin(20853-07-0)1HNMR
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