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Impurities and reference standards

Allochenodeoxycholic acid

Also known as 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic Acid, Allochenodeoxycholate, (3alpha,5alpha,7alpha)-3,7-Dihydroxycholan-24-oic acid

CAS 15357-34-3Formula C24H40O4Molar mass 392.58 g/mol
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Allochenodeoxycholic acid chemical structure, C24H40O4, CAS 15357-34-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
15357-34-3
Formula
C24H40O4
Molar mass
392.58 g/mol
HS code
291819
Category
Impurities and reference standards

What is Allochenodeoxycholic acid?

Plain description, key identifiers and synonyms

Allochenodeoxycholate is a cholanoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(3R,5R,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]pentanoic acid
CAS number
15357-34-3
Molecular formula
C24H40O4
InChIKey
RUDATBOHQWOJDD-IKAPKQLESA-N
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
Canonical SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](CCC(=O)O)[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

  • 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic Acid
  • Allochenodeoxycholate
  • (3alpha,5alpha,7alpha)-3,7-Dihydroxycholan-24-oic acid
  • (3|A,5|A,7|A)-3,7-Dihydroxycholan-24-oic Acid
  • 3a,7a-dihydroxy-5a-cholanoic acid
  • 3alpha,7alpha-Dihydroxy-5alpha-cholanoic acid
  • Chenodeoxycholic Acid Impurity 1, Allochenodeoxycholic Acid
  • (R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic 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
392.58 g/molcalc.
Exact mass
392.2927 Dacalc.
LogP (octanol/water)
4.48calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
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.

Allochenodeoxycholic acid suppliers

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Where suppliers are based

1 supplier in 1 country

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Allochenodeoxycholic acid price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

Quick answers about Allochenodeoxycholic acid, based on the data on this page

What is Allochenodeoxycholic acid?

Allochenodeoxycholate is a cholanoid.

What is the CAS number of Allochenodeoxycholic acid?

The CAS registry number of Allochenodeoxycholic acid is 15357-34-3.

What is the molecular formula and weight of Allochenodeoxycholic acid?

The molecular formula of Allochenodeoxycholic acid is C24H40O4 and its molar mass is 392.58 g/mol.

Is Allochenodeoxycholic acid hazardous?

No GHS hazard classification for Allochenodeoxycholic acid 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 Allochenodeoxycholic acid?

Allochenodeoxycholic acid 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 Allochenodeoxycholic acid?

CompoundList lists 1 supplier of Allochenodeoxycholic acid in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Allochenodeoxycholic acid?

Suppliers quote Allochenodeoxycholic acid 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 Allochenodeoxycholic acid

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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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