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Impurities and reference standards

Ethyl chenodeoxycholate

Also known as Ursodeoxycholic Acid Impurity 117, Ethyl (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate, Ethyl (3alpha,5beta,7alpha)-3,7-dihydroxycholan-24-oate

CAS 69700-82-9Formula C26H44O4Molar mass 420.63 g/mol
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Ethyl chenodeoxycholate chemical structure, C26H44O4, CAS 69700-82-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69700-82-9
Formula
C26H44O4
Molar mass
420.63 g/mol
HS code
291819
Category
Impurities and reference standards

What is Ethyl chenodeoxycholate?

Plain description, key identifiers and synonyms

Ethyl chenodeoxycholate is a chemical substance with the molecular formula C26H44O4 and a molar mass of 420.63 g/mol. Its CAS registry number is 69700-82-9. The IUPAC name is ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS number
69700-82-9
Molecular formula
C26H44O4
UNII
ER6UA2F3A9
InChIKey
PVTAJGPUZOLNFL-BJLOMENOSA-N
InChI
InChI=1S/C26H44O4/c1-5-30-23(29)9-6-16(2)19-7-8-20-24-21(11-13-26(19,20)4)25(3)12-10-18(27)14-17(25)15-22(24)28/h16-22,24,27-28H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
Canonical SMILES
CCOC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Synonyms

  • Ursodeoxycholic Acid Impurity 117
  • Ethyl (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
  • Ethyl (3alpha,5beta,7alpha)-3,7-dihydroxycholan-24-oate
  • Cholan-24-oic acid, 3,7-dihydroxy-, ethyl ester, (3alpha,5beta,7alpha)-
  • (R)-ethyl 4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

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
420.63 g/molcalc.
Exact mass
420.324 Dacalc.
LogP (octanol/water)
4.96calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

Ethyl chenodeoxycholate suppliers

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Ethyl chenodeoxycholate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Ethyl chenodeoxycholate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Ethyl chenodeoxycholate, based on the data on this page

What is Ethyl chenodeoxycholate?

Ethyl chenodeoxycholate is a chemical substance with the molecular formula C26H44O4 and a molar mass of 420.63 g/mol. Its CAS registry number is 69700-82-9.

What is the CAS number of Ethyl chenodeoxycholate?

The CAS registry number of Ethyl chenodeoxycholate is 69700-82-9.

What is the molecular formula and weight of Ethyl chenodeoxycholate?

The molecular formula of Ethyl chenodeoxycholate is C26H44O4 and its molar mass is 420.63 g/mol.

Is Ethyl chenodeoxycholate hazardous?

No GHS hazard classification for Ethyl chenodeoxycholate 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 Ethyl chenodeoxycholate?

Ethyl chenodeoxycholate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ethyl chenodeoxycholate?

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What is the price of Ethyl chenodeoxycholate?

Suppliers quote Ethyl chenodeoxycholate 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 Ethyl chenodeoxycholate

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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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