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Androsterone b-D-Glucuronide

CAT: 0572-TRC-A637605-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637605-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1852-43-3
Synonyms
β-D-Glucopyranosiduronic acid, (3α,5α)-17-oxoandrostan-3-yl; Glucopyranosiduronic acid, 17-oxo-5α-androstan-3α-yl, β-D- (6CI,8CI); (3α,5α)-17-Oxoandrostan-3-yl β-D-glucopyranosiduronic acid; 3α-Hydroxy-5α-androstan-17-one glucuronide; 5α-Androstan-3α-ol-17-one glucuronide; Androsterone 3-glucuronide; Androsterone glucosiduronate; Androsterone glucuronide; Androsterone glucuronoside; Androsterone monoglucosiduronate; NSC 113101
Hazard Statement
Not a hazardous substance according to GHS; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O
Molecular Formula
C25 H38 O8
Molecular Weight
466.56
InChI
InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Androsterone Glucuronide

Androsterone 3-glucosiduronic acid is a steroid glucosiduronic acid having androsterone as the steroid component. It has a role as a metabolite, a mouse metabolite and a human metabolite. It is a beta-D-glucosiduronic acid and a steroid glucosiduronic acid. It is functionally related to an androsterone and a beta-D-glucuronic acid.

CAS Number1852-43-3
PubChem CID114833
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC25H38O8
Molecular Weight466.6
XLogP2.3
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity801
SMILES
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKey
VFUIRAVTUVCQTF-BSOWLZGZSA-N
Chemical Structure
2D Structure
2D structure of Androsterone Glucuronide
CAS: 1852-43-3
CID: 114833
Formula: C25H38O8
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass466.25666817
Monoisotopic Mass466.25666817
Topological Polar Surface Area134 Ų
Heavy Atom Count33
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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