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Pedunculoside

CAT: 1410-M18543-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M18543-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pedunculoside is extracted from Ilex rotunda Thunb.
CAS Number
42719-32-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
650.84
Molecular Formula
C36H58O10
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Pedunculoside

Pedunculoside is a triterpenoid saponin.

CAS Number42719-32-4
PubChem CID14286954
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC36H58O10
Molecular Weight650.8
XLogP3.5
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count46
Formal Charge0
Complexity1240
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1
InChIKey
LARPFJIXBULVPK-FBAXZNBGSA-N
Chemical Structure
2D Structure
2D structure of Pedunculoside
CAS: 42719-32-4
CID: 14286954
Formula: C36H58O10
MW: 650.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.8
XLogP33.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass650.40299804
Monoisotopic Mass650.40299804
Topological Polar Surface Area177 Ų
Heavy Atom Count46
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TB0748-1000Pedunculoside
A14782-50Pedunculoside 50mg
A14782-10Pedunculoside 10mg
HY-N0458RPedunculoside (Standard)
371795Pedunculoside discontinued
A14782-25Pedunculoside 25mg

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