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3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE

3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE structure

CAS No:
1852-49-9
Formula:
C27H44O8
Chemical Name:
3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE
Synonyms:
5-BETA-PREGNAN-3-ALPHA, 20-ALPHA-DIOL 3-GLUCOSIDURONATE;3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE;5B-pregnane-3A-20A-diol glucuronide*crystalline;3α,20α-Dihydroxy-5β-pregnane3-glucuronide;5β-Pregnane-3α,20α-diolglucuronide;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid;(3α,5β,20S)-20-Hydroxypregnan-3-yl β-D-Glucopyranosiduronic Acid

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Description

Solid

Pregnanediol-3-glucuronide is a steroid glucosiduronic acid.

3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE Basic Attributes

Molecular Weight：

496.63

Exact Mass：

496.30400

DSSTox ID：

DTXSID00191467

Characteristics

PSA：

136.68000

XLogP3：

2.30350

Appearance：

Solid

Density：

1.3g/cm3

Boiling Point：

666.4ºC at 760mmHg

Flash Point：

217.2ºC

Refractive Index：

1.587

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

20 alpha-hydroxy-5 beta-pregnan-3 alpha-yl-beta-D-glucopyranosiduronic acid

3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE Use and Manufacturing

Pregnanediol 3α-O-β-D-Glucuronide is the glucuronide conjugate of Pregnanediol (P705130). Levels of Pregnanediol 3α-O-β-D-Glucuronide can be used to monitor the reproductive status of dairy cows. 3α-O-β-D-Glucuronide can be used (as an alternative to creatine) as a reference to adjust other hormonal markers in study of urinary hormonal profiles in the human menstrual cycle.

Computed Properties

Molecular Weight:496.6
XLogP3:3.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:496.30361836
Monoisotopic Mass:496.30361836
Topological Polar Surface Area:137
Heavy Atom Count:35
Complexity:806
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Chenodeoxycholic acid 3-glucuronide

58814-71-4
Chloramphenicol 3-glucuronide

39751-33-2
(-)-Morphine 3-glucuronide

20290-09-9
Lithocholic acid 3-glucuronide Formula

75239-91-7
Deoxycholic acid 3-glucuronide Formula

72504-58-6
2-Methoxyestrone 3-glucuronide Formula

25577-70-2
Glycochenodeoxycholic acid 3-glucuronide Structure

79254-98-1
Quercetin 3-glucuronide Structure

22688-79-5
What is Estradiol 3-glucuronide

15270-30-1

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Guide of 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE

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