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Alphadolone 21-β-D-glucuronide

CAT: 0804-HY-W778538Size: 1 EachDry Ice: NoHazardous: No
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Description
Alphadolone 21-β-D-glucuronide (ADG) is a class of biochemical reagents used in glycobiology research. Glycobiology studies the structure, synthesis, biology, and evolution of sugars. It involves carbohydrate chemistry, enzymology of glycan formation and degradation, protein-glycan recognition, and the role of glycans in biological systems. This field is closely related to basic research, biomedicine, and biotechnology[1].
CAS Number
36707-55-8
Product Name Alternative
ADG
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/alphadolone-21-β-d-glucuronide.html
Smiles
O[C@H]([C@H]([C@@H]([C@@H](C(O)=O)O1)O)O)[C@@H]1OCC([C@H]([C@]2(C3)C)CC[C@@]2([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])C3=O)=O
Molecular Formula
C27H40O10
Molecular Weight
524.60
References & Citations
[1]Varki A, et al editors. Essentials of Glycobiology [Internet]. 4th ed. Cold Spring Harbor (NY) : Cold Spring Harbor Laboratory Press; 2022.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Alphadolone 21-b-D-Glucuronide
CAS Number36707-55-8
PubChem CID71313116
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]oxane-2-carboxylic acid
Molecular FormulaC27H40O10
Molecular Weight524.6
XLogP1.2
Topological Polar Surface Area171
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity938
SMILES
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O
InChI
InChI=1S/C27H40O10/c1-26-8-7-13(28)9-12(26)3-4-14-15-5-6-16(27(15,2)10-17(29)19(14)26)18(30)11-36-25-22(33)20(31)21(32)23(37-25)24(34)35/h12-16,19-23,25,28,31-33H,3-11H2,1-2H3,(H,34,35)/t12-,13+,14-,15-,16+,19+,20-,21-,22+,23-,25+,26-,27-/m0/s1
InChIKey
YAICZXPNWGFCGW-IULWRGGCSA-N
Chemical Structure
2D Structure
2D structure of Alphadolone 21-b-D-Glucuronide
CAS: 36707-55-8
CID: 71313116
Formula: C27H40O10
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass524.26214747
Monoisotopic Mass524.26214747
Topological Polar Surface Area171 Ų
Heavy Atom Count37
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-480519Alphadolone 21-β-D-Glucuronide
MA16591-01Alphadolone 21-b-D-glucuronide
sc-481497Alphadolone-d5 21-β-D-Glucuronide
TRC-A575520-50MGAlphadolone 21-beta-D-Glucuronide
TRC-A575515-5MGAlphadolone 3-β-D-Glucuronide
MA16592-01Alphadolone 3-b-D-glucuronide
sc-481496Alphadolone-d5 3-β-D-Glucuronide
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sc-471855Prednisolone 21-β-D-glucuronide
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