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Cuniloside

CAT: 0013-GTR19228236-04Size: 4 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228236-04Size:4 mg
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Description
Cuniloside (CAS 160525-54-2) is a research chemical employed in life science studies. It serves as a biochemical tool for in vitro investigations into cellular processes and has been referenced in pharmacological research exploring natural product derivatives.
CAS Number
160525-54-2
Smiles
CC (C) (O) C1CCC (=CC1) C (=O) OC[C@H]1O[C@@H] (OC (=O) C2=CCC (CC2) C (C) (C) O) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C26H40O10
Molecular Weight
512.596
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cuniloside
CAS Number160525-54-2
PubChem CID51136390
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
Molecular FormulaC26H40O10
Molecular Weight512.6
XLogP0.8
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity876
SMILES
CC(C)(C1CCC(=CC1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CCC(CC3)C(C)(C)O)O)O)O)O
InChI
InChI=1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16?,17?,18-,19-,20+,21-,24+/m1/s1
InChIKey
JOLLIDAUJSAZHE-NXLZJJLUSA-N
Chemical Structure
2D Structure
2D structure of Cuniloside
CAS: 160525-54-2
CID: 51136390
Formula: C26H40O10
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass512.26214747
Monoisotopic Mass512.26214747
Topological Polar Surface Area163 Ų
Heavy Atom Count36
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791167Cuniloside
TN3729Cuniloside B

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