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Home Other Building Blocks 219944-39-5
219944-39-5,MFCD12031629
Catalog No.:AA00C4D0

219944-39-5 | (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98% by HPLC
in stock  
$368.00   $258.00
- +
10mg
98% by HPLC
in stock  
$579.00   $405.00
- +
25mg
98% by HPLC
in stock  
$1,154.00   $808.00
- +
50mg
98% by HPLC
in stock  
$1,922.00   $1,345.00
- +
100mg
98% by HPLC
in stock  
$3,279.00   $2,295.00
- +
500mg
98% by HPLC
in stock  
$10,447.00   $7,313.00
- +
1000mg
98% by HPLC
in stock  
$16,679.00   $11,675.00
- +
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Technical Information
Catalog Number:
AA00C4D0
Chemical Name:
(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid
CAS Number:
219944-39-5
Molecular Formula:
C55H86O24
Molecular Weight:
1131.2569
MDL Number:
MFCD12031629
SMILES:
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2O)OC(=O)/C(=C/C)/C)COC(=O)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
2300  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
27  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
79  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
13  
Rotatable Bond Count:
16  
XLogP3:
0.1  

Literature

Title: Anti-HIV-1 protease triterpenoid saponins from the seeds of Aesculus chinensis.

Journal: Journal of natural products 19991101

Title: Yang XW, et al. Anti-HIV-1 protease triterpenoid saponins from the seeds of Aesculus chinensis. J Nat Prod. 1999 Nov;62(11):1510-3.

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SDS
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Tags:219944-39-5 Molecular Formula|219944-39-5 MDL|219944-39-5 SMILES|219944-39-5 (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid