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Ilexoside XLVIII

CAT: 1410-M32301-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Ilexoside XLVIII is an acyl CoA cholesteryl acyl transferase (ACAT) inhibitor. Ilexoside XLVIII is a triterpene saponin isolated from an aqueous extract of the leaves of Ilex kudincha.
CAS Number
129095-76-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
811
Molecular Formula
C42H66O15
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Ilexoside XLVIII

Ilexoside XLVIII has been reported in Ilex kaushue, Chenopodium quinoa, and other organisms with data available.

CAS Number129095-76-7
PubChem CID14564471
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC42H66O15
Molecular Weight811.0
XLogP3.1
Topological Polar Surface Area253
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count57
Formal Charge0
Complexity1590
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@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O
InChI
InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1
InChIKey
RZQHWSDMLZHIRN-ZJDNFKTFSA-N
Chemical Structure
2D Structure
2D structure of Ilexoside XLVIII
CAS: 129095-76-7
CID: 14564471
Formula: C42H66O15
MW: 811.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight811.0
XLogP33.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass810.44017139
Monoisotopic Mass810.44017139
Topological Polar Surface Area253 Ų
Heavy Atom Count57
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M31648-01Ilexoside K
M31647-01Ilexoside D
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T75696-01Ilexoside XLVIII
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AB1785Ilexoside D
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371567Ilexoside D discontinued

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