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Screening compounds

alpha-CEHC glucuronide

Also known as I+--CEHC glucuronide, I+--Carboxyethyl hydrochroman glucuronide, alpha-Carboxyethyl hydrochroman glucuronide

CAS 477200-36-5Formula C22H30O10Molar mass 454.47 g/mol
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alpha-CEHC glucuronide chemical structure, C22H30O10, CAS 477200-36-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
477200-36-5
Formula
C22H30O10
Molar mass
454.47 g/mol
HS code
293299
Category
Screening compounds

What is alpha-CEHC glucuronide?

Plain description, key identifiers and synonyms

Alpha-CEHC glucuronide is a glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6S)-6-[[(2S)-2-(2-carboxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS number
477200-36-5
Molecular formula
C22H30O10
InChIKey
MWDYOFPRWKTECC-XOIOWARXSA-N
InChI
InChI=1S/C22H30O10/c1-9-10(2)18-12(5-7-22(4,32-18)8-6-13(23)24)11(3)17(9)30-21-16(27)14(25)15(26)19(31-21)20(28)29/h14-16,19,21,25-27H,5-8H2,1-4H3,(H,23,24)(H,28,29)/t14-,15-,16+,19-,21+,22-/m0/s1
Canonical SMILES
Cc1c(C)c2c(c(C)c1OC1OC(C(=O)O)C(O)C(O)C1O)CCC(C)(CCC(=O)O)O2
Isomeric SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC(=O)O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C

Synonyms

  • I+--CEHC glucuronide
  • I+--Carboxyethyl hydrochroman glucuronide
  • alpha-Carboxyethyl hydrochroman glucuronide
  • (2S,3S,4S,5R,6S)-6-(((S)-2-(2-Carboxyethyl)-2,5,7,8-tetramethylchroman-6-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • I+/--CEHC glucuronide
  • (2S)-2-(2-Carboxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl beta-D-glucopyranosiduronic acid
  • (2S,3S,4S,5R,6S)-6-[[(2S)-2-(2-carboxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
454.47 g/molcalc.
Exact mass
454.1839 Dacalc.
LogP (octanol/water)
0.83calc.
Topological polar surface area
163 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cc2c(cc1OC1CCCCO1)CCCO2

c1cc2c(cc1OC1CCCCO1)CCCO2

3 rings, 17 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

alpha-CEHC glucuronide suppliers

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alpha-CEHC glucuronide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code alpha-CEHC glucuronide is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for alpha-CEHC glucuronide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about alpha-CEHC glucuronide, based on the data on this page

What is alpha-CEHC glucuronide?

Alpha-CEHC glucuronide is a glycoside.

What is the CAS number of alpha-CEHC glucuronide?

The CAS registry number of alpha-CEHC glucuronide is 477200-36-5.

What is the molecular formula and weight of alpha-CEHC glucuronide?

The molecular formula of alpha-CEHC glucuronide is C22H30O10 and its molar mass is 454.47 g/mol.

What is alpha-CEHC glucuronide used for?

Known uses and roles of alpha-CEHC glucuronide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is alpha-CEHC glucuronide hazardous?

No GHS hazard classification for alpha-CEHC glucuronide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of alpha-CEHC glucuronide?

alpha-CEHC glucuronide is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy alpha-CEHC glucuronide?

Post a free request on CompoundList and suppliers of alpha-CEHC glucuronide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of alpha-CEHC glucuronide?

Suppliers quote alpha-CEHC glucuronide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle alpha-CEHC glucuronide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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