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Steroids and sterols

Ethyl lithocholate

Also known as Cholan-24-oic acid, 3-hydroxy-, ethyl ester, (3alpha,5beta)-, Ethyl 3-hydroxycholan-24-oate, Ethyl 3-hydroxycholan-24-oate #

CAS 6112-82-9Formula C26H44O3Molar mass 404.64 g/mol
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Ethyl lithocholate chemical structure, C26H44O3, CAS 6112-82-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6112-82-9
Formula
C26H44O3
Molar mass
404.64 g/mol
HS code
291819
Category
Steroids and sterols

What is Ethyl lithocholate?

Plain description, key identifiers and synonyms

Ethyl lithocholate is a chemical substance with the molecular formula C26H44O3 and a molar mass of 404.64 g/mol. Its CAS registry number is 6112-82-9. The IUPAC name is ethyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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
6112-82-9 CAS number cross-checked
Molecular formula
C26H44O3
InChIKey
QQQDIFUKWMHWBE-GBURMNQMSA-N
InChI
InChI=1S/C26H44O3/c1-5-29-24(28)11-6-17(2)21-9-10-22-20-8-7-18-16-19(27)12-14-25(18,3)23(20)13-15-26(21,22)4/h17-23,27H,5-16H2,1-4H3/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
Canonical SMILES
CCOC(=O)CCC(C)C1CCC2C3CCC4CC(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]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Synonyms

  • Cholan-24-oic acid, 3-hydroxy-, ethyl ester, (3alpha,5beta)-
  • Ethyl 3-hydroxycholan-24-oate
  • Ethyl 3-hydroxycholan-24-oate #
  • Ethyl 3alpha-hydroxy-5beta-cholan-24-oate

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
404.64 g/molcalc.
Exact mass
404.329 Dacalc.
LogP (octanol/water)
5.99calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (1 violation)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 lithocholate suppliers

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Ethyl lithocholate 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 lithocholate 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 lithocholate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Ethyl lithocholate?

Ethyl lithocholate is a chemical substance with the molecular formula C26H44O3 and a molar mass of 404.64 g/mol. Its CAS registry number is 6112-82-9.

What is the CAS number of Ethyl lithocholate?

The CAS registry number of Ethyl lithocholate is 6112-82-9.

What is the molecular formula and weight of Ethyl lithocholate?

The molecular formula of Ethyl lithocholate is C26H44O3 and its molar mass is 404.64 g/mol.

Is Ethyl lithocholate hazardous?

No GHS hazard classification for Ethyl lithocholate 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 lithocholate?

Ethyl lithocholate 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 lithocholate?

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What is the price of Ethyl lithocholate?

Suppliers quote Ethyl lithocholate 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 lithocholate

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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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